CID 460409

Chembl144356

Structural Information

Molecular Formula
C17H12ClN3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C17H12ClN3O2S/c18-12-6-7-15-14(10-12)16(17(20-15)21-9-8-19-11-21)24(22,23)13-4-2-1-3-5-13/h1-11,20H
InChIKey
BKKRUYRLTPWBIG-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-2-imidazol-1-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.03387 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04115 182.4
[M+Na]+ 380.02309 195.8
[M-H]- 356.02659 190.3
[M+NH4]+ 375.06769 196.9
[M+K]+ 395.99703 188.0
[M+H-H2O]+ 340.03113 175.2
[M+HCOO]- 402.03207 194.4
[M+CH3COO]- 416.04772 194.1
[M+Na-2H]- 378.00854 184.2
[M]+ 357.03332 188.4
[M]- 357.03442 188.4
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.