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

230
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 185.1
[M+Na]+ 384.09884 197.2
[M-H]- 360.10234 189.4
[M+NH4]+ 379.14344 197.2
[M+K]+ 400.07278 191.7
[M+H-H2O]+ 344.10688 177.4
[M+HCOO]- 406.10782 199.5
[M+CH3COO]- 420.12347 210.8
[M+Na-2H]- 382.08429 187.3
[M]+ 361.10907 193.9
[M]- 361.11017 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.