CID 65881

Leminoprazole

Structural Information

Molecular Formula
C19H23N3OS
SMILES
CC(C)CN(C)C1=CC=CC=C1CS(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C19H23N3OS/c1-14(2)12-22(3)18-11-7-4-8-15(18)13-24(23)19-20-16-9-5-6-10-17(16)21-19/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKey
PSIREIZGKQBEEO-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylsulfinylmethyl)-N-methyl-N-(2-methylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

3191
Patents

341.1562 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.163476 180.6
[M+Na]+ 364.145418 188.1
[M-H]- 340.148924 186.0
[M+NH4]+ 359.190023 194.5
[M+K]+ 380.119358 182.8
[M+H-H2O]+ 324.153460 172.1
[M+HCOO]- 386.154401 196.1
[M+CH3COO]- 400.170051 190.8
[M+Na-2H]- 362.130866 180.8
[M]+ 341.15565142 185.0
[M]- 341.15674858 185.0
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

patents stripe