CID 636411

Tenatoprazole

Structural Information

Molecular Formula
C16H18N4O3S
SMILES
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
InChI
InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
InChIKey
ZBFDAUIVDSSISP-UHFFFAOYSA-N
Compound name
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

59
References

3279
Patents

346.10995 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11723 180.8
[M+Na]+ 369.09917 195.3
[M+NH4]+ 364.14377 186.5
[M+K]+ 385.07311 189.1
[M-H]- 345.10267 182.1
[M+Na-2H]- 367.08462 186.0
[M]+ 346.10940 183.6
[M]- 346.11050 183.6
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.