CID 460412

Chembl264184

Structural Information

Molecular Formula
C17H14ClN3O2S
SMILES
C1CN=C(N1)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H14ClN3O2S/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/h1-7,10,21H,8-9H2,(H,19,20)
InChIKey
APPCBFIMNYYQRC-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.04953 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.05681 182.5
[M+Na]+ 382.03875 194.3
[M-H]- 358.04225 188.6
[M+NH4]+ 377.08335 196.1
[M+K]+ 398.01269 186.0
[M+H-H2O]+ 342.04679 175.6
[M+HCOO]- 404.04773 191.6
[M+CH3COO]- 418.06338 192.9
[M+Na-2H]- 380.02420 183.1
[M]+ 359.04898 185.4
[M]- 359.05008 185.4
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.