CID 460405

Chembl148372

Structural Information

Molecular Formula
C19H16ClN3O2S
SMILES
CC1=C(N=C(N1)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C19H16ClN3O2S/c1-11-12(2)22-19(21-11)17-18(15-10-13(20)8-9-16(15)23-17)26(24,25)14-6-4-3-5-7-14/h3-10,23H,1-2H3,(H,21,22)
InChIKey
NRTULEQBQBOGFY-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-2-(4,5-dimethyl-1H-imidazol-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.0652 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07248 191.6
[M+Na]+ 408.05442 205.0
[M-H]- 384.05792 198.5
[M+NH4]+ 403.09902 204.8
[M+K]+ 424.02836 196.1
[M+H-H2O]+ 368.06246 184.9
[M+HCOO]- 430.06340 201.3
[M+CH3COO]- 444.07905 202.3
[M+Na-2H]- 406.03987 190.8
[M]+ 385.06465 197.3
[M]- 385.06575 197.3
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.