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
1
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]+ 292.10402 162.6
[M+Na]+ 314.08596 172.2
[M-H]- 290.08946 166.5
[M+NH4]+ 309.13056 173.7
[M+K]+ 330.05990 170.1
[M+H-H2O]+ 274.09400 152.5
[M+HCOO]- 336.09494 181.5
[M+CH3COO]- 350.11059 173.9
[M+Na-2H]- 312.07141 168.6
[M]+ 291.09619 165.7
[M]- 291.09729 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.