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]+ 342.12708 180.8
[M+Na]+ 364.10902 190.2
[M-H]- 340.11252 188.1
[M+NH4]+ 359.15362 195.4
[M+K]+ 380.08296 185.4
[M+H-H2O]+ 324.11706 172.6
[M+HCOO]- 386.11800 198.1
[M+CH3COO]- 400.13365 213.0
[M+Na-2H]- 362.09447 183.8
[M]+ 341.11925 186.6
[M]- 341.12035 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.