CID 3073313

Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-7(6h)-butanoic acid, 6-oxo-, sodium salt

Structural Information

Molecular Formula
C13H12N4O3
SMILES
C1=CN(C(=O)C2=C1N3C(=CC=N3)N=C2)CCCC(=O)O
InChI
InChI=1S/C13H12N4O3/c18-12(19)2-1-6-16-7-4-10-9(13(16)20)8-14-11-3-5-15-17(10)11/h3-5,7-8H,1-2,6H2,(H,18,19)
InChIKey
CUQGEGYCPOQNSY-UHFFFAOYSA-N
Compound name
4-(10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09094 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09822 159.9
[M+Na]+ 295.08016 171.4
[M-H]- 271.08366 159.7
[M+NH4]+ 290.12476 174.0
[M+K]+ 311.05410 166.4
[M+H-H2O]+ 255.08820 151.0
[M+HCOO]- 317.08914 177.9
[M+CH3COO]- 331.10479 171.3
[M+Na-2H]- 293.06561 166.4
[M]+ 272.09039 164.4
[M]- 272.09149 164.4
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.