CID 68875

Carprazidil

Structural Information

Molecular Formula
C12H13N5O4
SMILES
COC(=O)NC1=CC(=NC2=NC(=O)ON12)N3CCC=CC3
InChI
InChI=1S/C12H13N5O4/c1-20-11(18)14-9-7-8(16-5-3-2-4-6-16)13-10-15-12(19)21-17(9)10/h2-3,7H,4-6H2,1H3,(H,14,18)
InChIKey
LIQCCUFOYBAGQT-UHFFFAOYSA-N
Compound name
methyl N-[5-(3,6-dihydro-2H-pyridin-1-yl)-2-oxo-[1,2,4]oxadiazolo[2,3-a]pyrimidin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

59
Patents

291.09674 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.104016 162.6
[M+Na]+ 314.085958 172.2
[M-H]- 290.089464 166.5
[M+NH4]+ 309.130563 173.7
[M+K]+ 330.059898 170.1
[M+H-H2O]+ 274.094000 152.5
[M+HCOO]- 336.094941 181.5
[M+CH3COO]- 350.110591 173.9
[M+Na-2H]- 312.071406 168.6
[M]+ 291.09619142 165.7
[M]- 291.09728858 165.7
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