CID 9800271

5-hydroxylansoprazole

Structural Information

Molecular Formula
C16H14F3N3O3S
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O3S/c1-9-13(20-5-4-14(9)25-8-16(17,18)19)7-26(24)15-21-11-3-2-10(23)6-12(11)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
InChIKey
IDCLTMRSSAXUNY-UHFFFAOYSA-N
Compound name
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-3H-benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

113
Patents

385.0708 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.07808 183.8
[M+Na]+ 408.06002 193.0
[M+NH4]+ 403.10462 186.9
[M+K]+ 424.03396 188.7
[M-H]- 384.06352 179.9
[M+Na-2H]- 406.04547 186.4
[M]+ 385.07025 184.0
[M]- 385.07135 184.0
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