CID 56773897

4-oxo-4h-pyrido[1,2-a]pyrimidine-9-carbaldehyde

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CN2C(=O)C=CN=C2C(=C1)C=O
InChI
InChI=1S/C9H6N2O2/c12-6-7-2-1-5-11-8(13)3-4-10-9(7)11/h1-6H
InChIKey
ZYSIZKIHNYPAAM-UHFFFAOYSA-N
Compound name
4-oxopyrido[1,2-a]pyrimidine-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.04292 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.050196 131.5
[M+Na]+ 197.032138 142.8
[M-H]- 173.035644 134.1
[M+NH4]+ 192.076743 150.4
[M+K]+ 213.006078 139.6
[M+H-H2O]+ 157.040180 124.2
[M+HCOO]- 219.041121 154.1
[M+CH3COO]- 233.056771 178.9
[M+Na-2H]- 195.017586 141.7
[M]+ 174.04237142 133.4
[M]- 174.04346858 133.4
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.