CID 10385385

Lansoprazole sulfone

Structural Information

Molecular Formula
C16H14F3N3O3S
SMILES
CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O3S/c1-10-13(20-7-6-14(10)25-9-16(17,18)19)8-26(23,24)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
InChIKey
TVMJMCGRSSSSDJ-UHFFFAOYSA-N
Compound name
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfonyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

21
References

138
Patents

385.0708 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07808 185.9
[M+Na]+ 408.06002 197.5
[M-H]- 384.06352 185.7
[M+NH4]+ 403.10462 196.5
[M+K]+ 424.03396 190.6
[M+H-H2O]+ 368.06806 175.7
[M+HCOO]- 430.06900 195.8
[M+CH3COO]- 444.08465 210.9
[M+Na-2H]- 406.04547 189.2
[M]+ 385.07025 188.4
[M]- 385.07135 188.4
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.