CID 515974

1-(3-isopropylsulfonylbenzimidazol-5-yl)-n-methyl-1-phenyl-methanimine

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CC(C)S(=O)(=O)N1C=NC2=C1C=C(C=C2)C(=NC)C3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2S/c1-13(2)24(22,23)21-12-20-16-10-9-15(11-17(16)21)18(19-3)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKey
QDKCGUZNBLQJJQ-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyl-1-(3-propan-2-ylsulfonylbenzimidazol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.1198 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 180.8
[M+Na]+ 364.109018 190.2
[M-H]- 340.112524 188.1
[M+NH4]+ 359.153623 195.4
[M+K]+ 380.082958 185.4
[M+H-H2O]+ 324.117060 172.6
[M+HCOO]- 386.118001 198.1
[M+CH3COO]- 400.133651 213.0
[M+Na-2H]- 362.094466 183.8
[M]+ 341.11925142 186.6
[M]- 341.12034858 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.