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 132.8
[M+Na]+ 197.03214 148.3
[M+NH4]+ 192.07674 141.0
[M+K]+ 213.00608 141.3
[M-H]- 173.03564 134.3
[M+Na-2H]- 195.01759 140.7
[M]+ 174.04237 135.4
[M]- 174.04347 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.