CID 3073331

Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester

Structural Information

Molecular Formula
C14H13N5O4
SMILES
CCOC(=O)C1=C2N=CC3=C(N2N=C1)C=CN(C3=O)CC(=O)N
InChI
InChI=1S/C14H13N5O4/c1-2-23-14(22)9-6-17-19-10-3-4-18(7-11(15)20)13(21)8(10)5-16-12(9)19/h3-6H,2,7H2,1H3,(H2,15,20)
InChIKey
DGQAMMOXYJUFMT-UHFFFAOYSA-N
Compound name
ethyl 11-(2-amino-2-oxoethyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.09674 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.10402 169.9
[M+Na]+ 338.08596 181.1
[M-H]- 314.08946 171.1
[M+NH4]+ 333.13056 182.5
[M+K]+ 354.05990 177.1
[M+H-H2O]+ 298.09400 160.9
[M+HCOO]- 360.09494 188.8
[M+CH3COO]- 374.11059 208.7
[M+Na-2H]- 336.07141 174.5
[M]+ 315.09619 175.5
[M]- 315.09729 175.5
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.