CID 3052764

Pumaprazole

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC1=C(C(=CC=C1)NC(=O)OC)CNC2=CC=CN3C2=NC(=C3C)C
InChI
InChI=1S/C19H22N4O2/c1-12-7-5-8-16(22-19(24)25-4)15(12)11-20-17-9-6-10-23-14(3)13(2)21-18(17)23/h5-10,20H,11H2,1-4H3,(H,22,24)
InChIKey
NZQTVUWEPPDOKK-UHFFFAOYSA-N
Compound name
methyl N-[2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

668
Patents

338.1743 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 182.1
[M+Na]+ 361.16352 195.4
[M+NH4]+ 356.20812 188.7
[M+K]+ 377.13746 190.2
[M-H]- 337.16702 186.2
[M+Na-2H]- 359.14897 188.7
[M]+ 338.17375 185.0
[M]- 338.17485 185.0
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