CID 3073305

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

Structural Information

Molecular Formula
C14H12N4O5
SMILES
CCOC(=O)C1=C2N=CC3=C(N2N=C1)C=CN(C3=O)CC(=O)O
InChI
InChI=1S/C14H12N4O5/c1-2-23-14(22)9-6-16-18-10-3-4-17(7-11(19)20)13(21)8(10)5-15-12(9)18/h3-6H,2,7H2,1H3,(H,19,20)
InChIKey
QSJQMTPELHHKMH-UHFFFAOYSA-N
Compound name
2-(5-ethoxycarbonyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.08078 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08806 169.5
[M+Na]+ 339.07000 182.2
[M+NH4]+ 334.11460 173.5
[M+K]+ 355.04394 180.3
[M-H]- 315.07350 167.2
[M+Na-2H]- 337.05545 172.1
[M]+ 316.08023 170.2
[M]- 316.08133 170.2
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.