CID 126455840

2098346-67-7

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=C(C=C3)CN)C#N
InChI
InChI=1S/C17H16N4O2S/c1-11-2-7-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-5-3-12(8-18)4-6-14/h2-7,10,20-21H,8,18H2,1H3
InChIKey
YYJILEGPDDMZAV-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

340.0994 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 192.8
[M+Na]+ 363.08862 204.5
[M-H]- 339.09212 196.9
[M+NH4]+ 358.13322 205.4
[M+K]+ 379.06256 196.5
[M+H-H2O]+ 323.09666 178.9
[M+HCOO]- 385.09760 206.7
[M+CH3COO]- 399.11325 219.8
[M+Na-2H]- 361.07407 194.3
[M]+ 340.09885 189.2
[M]- 340.09995 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.