PubChemLite - Dpc-602 (C24H19F4N5O3S)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)CN)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)F

InChI

InChI=1S/C24H19F4N5O3S/c25-17-11-14(16-6-2-4-8-21(16)37(30,35)36)9-10-18(17)31-23(34)20-12-22(24(26,27)28)32-33(20)19-7-3-1-5-15(19)13-29/h1-12H,13,29H2,(H,31,34)(H2,30,35,36)

InChIKey

TYPXEIGMGZWOGB-UHFFFAOYSA-N

Compound name

2-[2-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(trifluoromethyl)pyrazole-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]+	534.12178	220.6
[M+Na]+	556.10372	228.7
[M-H]-	532.10722	226.0
[M+NH4]+	551.14832	224.0
[M+K]+	572.07766	220.5
[M+H-H2O]+	516.11176	207.2
[M+HCOO]-	578.11270	231.7
[M+CH3COO]-	592.12835	249.0
[M+Na-2H]-	554.08917	219.5
[M]+	533.11395	217.0
[M]-	533.11505	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

534.12178

220.6

[M+Na]+

556.10372

228.7

[M-H]-

532.10722

226.0

[M+NH4]+

551.14832

224.0

[M+K]+

572.07766

220.5

[M+H-H2O]+

516.11176

207.2

[M+HCOO]-

578.11270

231.7

[M+CH3COO]-

592.12835

249.0

[M+Na-2H]-

554.08917

219.5

[M]+

533.11395

217.0

[M]-

533.11505

217.0

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

Dpc-602

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe