CID 5029

Rabeprazole

Structural Information

Molecular Formula
C18H21N3O3S
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC
InChI
InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey
YREYEVIYCVEVJK-UHFFFAOYSA-N
Compound name
2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfinyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1429
References

20388
Patents

359.13037 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13765 183.5
[M+Na]+ 382.11959 197.1
[M+NH4]+ 377.16419 189.8
[M+K]+ 398.09353 189.8
[M-H]- 358.12309 185.3
[M+Na-2H]- 380.10504 189.3
[M]+ 359.12982 186.4
[M]- 359.13092 186.4
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