CID 3073309

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

Structural Information

Molecular Formula
C11H8N4O3
SMILES
C1=CN(C(=O)C2=C1N3C(=CC=N3)N=C2)CC(=O)O
InChI
InChI=1S/C11H8N4O3/c16-10(17)6-14-4-2-8-7(11(14)18)5-12-9-1-3-13-15(8)9/h1-5H,6H2,(H,16,17)
InChIKey
IVTAWJNNDROLIK-UHFFFAOYSA-N
Compound name
2-(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

244.05965 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06693 151.0
[M+Na]+ 267.04887 165.3
[M+NH4]+ 262.09347 157.1
[M+K]+ 283.02281 162.0
[M-H]- 243.05237 150.1
[M+Na-2H]- 265.03432 156.0
[M]+ 244.05910 152.6
[M]- 244.06020 152.6
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.