CID 145900

Omeprazole sulfone

Structural Information

Molecular Formula
C17H19N3O4S
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC
InChI
InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
InChIKey
IXEQEYRTSRFZEO-UHFFFAOYSA-N
Compound name
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

53
References

225
Patents

361.10962 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11690 185.2
[M+Na]+ 384.09884 199.2
[M+NH4]+ 379.14344 190.7
[M+K]+ 400.07278 193.4
[M-H]- 360.10234 186.1
[M+Na-2H]- 382.08429 190.4
[M]+ 361.10907 187.9
[M]- 361.11017 187.9
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