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]+ 175.05020 131.5
[M+Na]+ 197.03214 142.8
[M-H]- 173.03564 134.1
[M+NH4]+ 192.07674 150.4
[M+K]+ 213.00608 139.6
[M+H-H2O]+ 157.04018 124.2
[M+HCOO]- 219.04112 154.1
[M+CH3COO]- 233.05677 178.9
[M+Na-2H]- 195.01759 141.7
[M]+ 174.04237 133.4
[M]- 174.04347 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.