Tripamide (C16H20ClN3O3S)

Structural Information

Molecular Formula

SMILES

C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2CN(C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N

InChI

InChI=1S/C16H20ClN3O3S/c17-14-4-3-11(6-15(14)24(18,22)23)16(21)19-20-7-12-9-1-2-10(5-9)13(12)8-20/h3-4,6,9-10,12-13H,1-2,5,7-8H2,(H,19,21)(H2,18,22,23)/t9-,10+,12-,13+

InChIKey

UHLOVGKIEARANS-NIFPGPBJSA-N

Compound name

N-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-4-chloro-3-sulfamoylbenzamide

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]+	370.098676	187.6
[M+Na]+	392.080618	195.3
[M-H]-	368.084124	193.6
[M+NH4]+	387.125223	207.4
[M+K]+	408.054558	190.8
[M+H-H2O]+	352.088660	184.7
[M+HCOO]-	414.089601	196.6
[M+CH3COO]-	428.105251	197.6
[M+Na-2H]-	390.066066	185.7
[M]+	369.09085142	190.0
[M]-	369.09194858	190.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

370.098676

187.6

[M+Na]+

392.080618

195.3

[M-H]-

368.084124

193.6

[M+NH4]+

387.125223

207.4

[M+K]+

408.054558

190.8

[M+H-H2O]+

352.088660

184.7

[M+HCOO]-

414.089601

196.6

[M+CH3COO]-

428.105251

197.6

[M+Na-2H]-

390.066066

185.7

[M]+

369.09085142

190.0

[M]-

369.09194858

190.0

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

Tripamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe