CID 460403

Chembl148371

Structural Information

Molecular Formula
C17H12ClN3O2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C4=NC=CN4
InChI
InChI=1S/C17H12ClN3O2S/c18-11-6-7-14-13(10-11)16(15(21-14)17-19-8-9-20-17)24(22,23)12-4-2-1-3-5-12/h1-10,21H,(H,19,20)
InChIKey
GWNVZICSCAVKDH-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-2-(1H-imidazol-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.03387 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04115 181.7
[M+Na]+ 380.02309 194.5
[M-H]- 356.02659 188.2
[M+NH4]+ 375.06769 195.5
[M+K]+ 395.99703 186.0
[M+H-H2O]+ 340.03113 174.9
[M+HCOO]- 402.03207 192.2
[M+CH3COO]- 416.04772 192.7
[M+Na-2H]- 378.00854 183.3
[M]+ 357.03332 186.0
[M]- 357.03442 186.0
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.