CID 460404

Chembl253018

Structural Information

Molecular Formula
C18H14ClN3O2S
SMILES
CC1=CN=C(N1)C2=C(C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H14ClN3O2S/c1-11-10-20-18(21-11)16-17(14-9-12(19)7-8-15(14)22-16)25(23,24)13-5-3-2-4-6-13/h2-10,22H,1H3,(H,20,21)
InChIKey
YZEAJCOIBSMIOB-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-5-chloro-2-(5-methyl-1H-imidazol-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.04953 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05681 186.7
[M+Na]+ 394.03875 199.8
[M-H]- 370.04225 193.4
[M+NH4]+ 389.08335 200.2
[M+K]+ 410.01269 191.1
[M+H-H2O]+ 354.04679 180.0
[M+HCOO]- 416.04773 196.8
[M+CH3COO]- 430.06338 197.5
[M+Na-2H]- 392.02420 187.1
[M]+ 371.04898 191.7
[M]- 371.05008 191.7
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.