PubChemLite - Schembl2086773 (C25H19Cl2N7O3S)

Structural Information

Molecular Formula

SMILES

CN(C1=CC=CC=N1)NC(=O)C2=C3N=CC(=C(N3N=C2S(=O)(=O)N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C25H19Cl2N7O3S/c1-33(20-8-4-5-13-29-20)31-24(35)21-23-30-14-18(17-6-2-3-7-19(17)27)22(15-9-11-16(26)12-10-15)34(23)32-25(21)38(28,36)37/h2-14H,1H3,(H,31,35)(H2,28,36,37)

InChIKey

SIHKCQZRSPKPIN-UHFFFAOYSA-N

Compound name

6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[methyl(pyridin-2-yl)amino]carbamoyl]pyrazolo[1,5-a]pyrimidine-2-sulfonamide

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]+	568.07198	226.0
[M+Na]+	590.05392	236.0
[M-H]-	566.05742	236.5
[M+NH4]+	585.09852	228.8
[M+K]+	606.02786	228.7
[M+H-H2O]+	550.06196	215.3
[M+HCOO]-	612.06290	232.6
[M+CH3COO]-	626.07855	233.0
[M+Na-2H]-	588.03937	229.2
[M]+	567.06415	234.3
[M]-	567.06525	234.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.07198

226.0

[M+Na]+

590.05392

236.0

[M-H]-

566.05742

236.5

[M+NH4]+

585.09852

228.8

[M+K]+

606.02786

228.7

[M+H-H2O]+

550.06196

215.3

[M+HCOO]-

612.06290

232.6

[M+CH3COO]-

626.07855

233.0

[M+Na-2H]-

588.03937

229.2

[M]+

567.06415

234.3

[M]-

567.06525

234.3

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

Schembl2086773

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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