CID 71749086

4-hydroxy lansoprazole sulfide

Structural Information

Molecular Formula
C16H14F3N3O2S
SMILES
CC1=C(C=CN=C1CSC2=NC3=C(N2)C=CC=C3O)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O2S/c1-9-11(20-6-5-13(9)24-8-16(17,18)19)7-25-15-21-10-3-2-4-12(23)14(10)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
InChIKey
OQGIYDJVVFOGGO-UHFFFAOYSA-N
Compound name
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-1H-benzimidazol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

369.0759 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.083176 180.7
[M+Na]+ 392.065118 192.3
[M-H]- 368.068624 179.2
[M+NH4]+ 387.109723 191.7
[M+K]+ 408.039058 184.5
[M+H-H2O]+ 352.073160 170.5
[M+HCOO]- 414.074101 190.2
[M+CH3COO]- 428.089751 208.6
[M+Na-2H]- 390.050566 181.8
[M]+ 369.07535142 182.5
[M]- 369.07644858 182.5
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

No patent data available for this compound.