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

60
References

3497
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 179.6
[M+Na]+ 369.09917 191.7
[M-H]- 345.10267 182.5
[M+NH4]+ 364.14377 191.0
[M+K]+ 385.07311 185.9
[M+H-H2O]+ 329.10721 171.2
[M+HCOO]- 391.10815 193.3
[M+CH3COO]- 405.12380 190.3
[M+Na-2H]- 367.08462 180.0
[M]+ 346.10940 187.8
[M]- 346.11050 187.8
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