PubChemLite - Schembl12982537 (C24H30ClN5O3S)

Structural Information

Molecular Formula

SMILES

CC(C1=CC=C(C=C1)CNS(=O)(=O)N)C(=O)NCC2=CC(=NN2C3=CC(=CC=C3)Cl)C(C)(C)C

InChI

InChI=1S/C24H30ClN5O3S/c1-16(18-10-8-17(9-11-18)14-28-34(26,32)33)23(31)27-15-21-13-22(24(2,3)4)29-30(21)20-7-5-6-19(25)12-20/h5-13,16,28H,14-15H2,1-4H3,(H,27,31)(H2,26,32,33)

InChIKey

DACXYKBLLKSFLC-UHFFFAOYSA-N

Compound name

N-[[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl]methyl]-2-[4-[(sulfamoylamino)methyl]phenyl]propanamide

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]+	504.18306	221.4
[M+Na]+	526.16500	226.6
[M-H]-	502.16850	228.7
[M+NH4]+	521.20960	227.5
[M+K]+	542.13894	220.2
[M+H-H2O]+	486.17304	212.5
[M+HCOO]-	548.17398	230.7
[M+CH3COO]-	562.18963	244.4
[M+Na-2H]-	524.15045	220.7
[M]+	503.17523	225.9
[M]-	503.17633	225.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.18306

221.4

[M+Na]+

526.16500

226.6

[M-H]-

502.16850

228.7

[M+NH4]+

521.20960

227.5

[M+K]+

542.13894

220.2

[M+H-H2O]+

486.17304

212.5

[M+HCOO]-

548.17398

230.7

[M+CH3COO]-

562.18963

244.4

[M+Na-2H]-

524.15045

220.7

[M]+

503.17523

225.9

[M]-

503.17633

225.9

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

Schembl12982537

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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