PubChemLite - 4-chloro-n-{2-[((2e)-2-{[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-yl]methylene}hydrazino)carbonyl]phenyl}benzenesulfonamide (C30H24ClN5O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C30H24ClN5O3S/c1-21-11-13-22(14-12-21)29-23(20-36(34-29)25-7-3-2-4-8-25)19-32-33-30(37)27-9-5-6-10-28(27)35-40(38,39)26-17-15-24(31)16-18-26/h2-20,35H,1H3,(H,33,37)/b32-19+

InChIKey

GHIWDODOFUOAHR-BIZUNTBRSA-N

Compound name

2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	570.13613	236.4
[M+Na]+	592.11807	243.1
[M-H]-	568.12157	251.0
[M+NH4]+	587.16267	239.5
[M+K]+	608.09201	234.6
[M+H-H2O]+	552.12611	224.1
[M+HCOO]-	614.12705	250.6
[M+CH3COO]-	628.14270	243.0
[M+Na-2H]-	590.10352	237.8
[M]+	569.12830	241.2
[M]-	569.12940	241.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.13613

236.4

[M+Na]+

592.11807

243.1

[M-H]-

568.12157

251.0

[M+NH4]+

587.16267

239.5

[M+K]+

608.09201

234.6

[M+H-H2O]+

552.12611

224.1

[M+HCOO]-

614.12705

250.6

[M+CH3COO]-

628.14270

243.0

[M+Na-2H]-

590.10352

237.8

[M]+

569.12830

241.2

[M]-

569.12940

241.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4-chloro-n-{2-[((2e)-2-{[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-yl]methylene}hydrazino)carbonyl]phenyl}benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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