CID 5324591

N-methyl omeprazole

Structural Information

Molecular Formula
C18H21N3O3S
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2C)C=CC(=C3)OC
InChI
InChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-8-13(23-4)6-7-16(14)21(18)3/h6-9H,10H2,1-5H3
InChIKey
RUGQJBJNYIHOIW-UHFFFAOYSA-N
Compound name
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

359.13037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13765 185.7
[M+Na]+ 382.11959 200.9
[M+NH4]+ 377.16419 192.3
[M+K]+ 398.09353 193.8
[M-H]- 358.12309 188.3
[M+Na-2H]- 380.10504 191.2
[M]+ 359.12982 189.2
[M]- 359.13092 189.2
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

patents stripe