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-dimethyl-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

53
References

231
Patents

361.10962 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.116896 185.1
[M+Na]+ 384.098838 197.2
[M-H]- 360.102344 189.4
[M+NH4]+ 379.143443 197.2
[M+K]+ 400.072778 191.7
[M+H-H2O]+ 344.106880 177.4
[M+HCOO]- 406.107821 199.5
[M+CH3COO]- 420.123471 210.8
[M+Na-2H]- 382.084286 187.3
[M]+ 361.10907142 193.9
[M]- 361.11016858 193.9
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