CID 460407

Chembl341883

Structural Information

Molecular Formula
C21H20ClN3O2S
SMILES
CCC1=C(N=C(N1)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4)CC
InChI
InChI=1S/C21H20ClN3O2S/c1-3-16-17(4-2)25-21(24-16)19-20(15-12-13(22)10-11-18(15)23-19)28(26,27)14-8-6-5-7-9-14/h5-12,23H,3-4H2,1-2H3,(H,24,25)
InChIKey
QKQCTLAGNTVGPX-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-2-(4,5-diethyl-1H-imidazol-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.09647 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.10375 200.0
[M+Na]+ 436.08569 212.5
[M-H]- 412.08919 206.5
[M+NH4]+ 431.13029 212.0
[M+K]+ 452.05963 203.2
[M+H-H2O]+ 396.09373 192.9
[M+HCOO]- 458.09467 209.0
[M+CH3COO]- 472.11032 209.8
[M+Na-2H]- 434.07114 198.3
[M]+ 413.09592 206.3
[M]- 413.09702 206.3
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.