CID 97222

2-chloro-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C9H5ClN2O2
SMILES
C1=CC2=NC(=C(C(=O)N2C=C1)C=O)Cl
InChI
InChI=1S/C9H5ClN2O2/c10-8-6(5-13)9(14)12-4-2-1-3-7(12)11-8/h1-5H
InChIKey
VHLHXLJSHPMFCL-UHFFFAOYSA-N
Compound name
2-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

11
Patents

208.00395 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01123 137.0
[M+Na]+ 230.99317 149.9
[M-H]- 206.99667 139.6
[M+NH4]+ 226.03777 155.6
[M+K]+ 246.96711 145.0
[M+H-H2O]+ 191.00121 130.4
[M+HCOO]- 253.00215 154.9
[M+CH3COO]- 267.01780 183.9
[M+Na-2H]- 228.97862 145.9
[M]+ 208.00340 141.2
[M]- 208.00450 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe