PubChemLite - Schembl1754000 (C23H20Cl2N6O3S)

Structural Information

Molecular Formula

SMILES

C1CCN(C1)NC(=O)C2=C3N=CC(=C(N3N=C2S(=O)(=O)N)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C23H20Cl2N6O3S/c24-15-9-7-14(8-10-15)20-17(16-5-1-2-6-18(16)25)13-27-21-19(22(32)28-30-11-3-4-12-30)23(29-31(20)21)35(26,33)34/h1-2,5-10,13H,3-4,11-12H2,(H,28,32)(H2,26,33,34)

InChIKey

WHAZINAXCQYHKF-UHFFFAOYSA-N

Compound name

6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-pyrrolidin-1-yl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide

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]+	531.07674	220.8
[M+Na]+	553.05868	230.8
[M-H]-	529.06218	230.4
[M+NH4]+	548.10328	226.9
[M+K]+	569.03262	223.3
[M+H-H2O]+	513.06672	211.7
[M+HCOO]-	575.06766	225.0
[M+CH3COO]-	589.08331	228.1
[M+Na-2H]-	551.04413	219.0
[M]+	530.06891	226.3
[M]-	530.07001	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.07674

220.8

[M+Na]+

553.05868

230.8

[M-H]-

529.06218

230.4

[M+NH4]+

548.10328

226.9

[M+K]+

569.03262

223.3

[M+H-H2O]+

513.06672

211.7

[M+HCOO]-

575.06766

225.0

[M+CH3COO]-

589.08331

228.1

[M+Na-2H]-

551.04413

219.0

[M]+

530.06891

226.3

[M]-

530.07001

226.3

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

Schembl1754000

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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