CID 196970

289483-69-8

Structural Information

Molecular Formula
C17H12N4O2S
SMILES
CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N
InChI
InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3
InChIKey
LWGUASZLXHYWIV-UHFFFAOYSA-N
Compound name
3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

188
Patents

336.06808 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07536 202.2
[M+Na]+ 359.05730 214.2
[M-H]- 335.06080 205.9
[M+NH4]+ 354.10190 211.6
[M+K]+ 375.03124 206.5
[M+H-H2O]+ 319.06534 185.8
[M+HCOO]- 381.06628 209.7
[M+CH3COO]- 395.08193 207.2
[M+Na-2H]- 357.04275 200.8
[M]+ 336.06753 195.6
[M]- 336.06863 195.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe