CID 5155027

2-(chloromethyl)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC2=NC(=CC(=O)N2C=C1)CCl
InChI
InChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2
InChIKey
QANDFEYEAYUSKD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

194.02469 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03197 135.2
[M+Na]+ 217.01391 147.0
[M-H]- 193.01741 137.4
[M+NH4]+ 212.05851 154.2
[M+K]+ 232.98785 142.1
[M+H-H2O]+ 177.02195 128.4
[M+HCOO]- 239.02289 152.7
[M+CH3COO]- 253.03854 149.1
[M+Na-2H]- 214.99936 144.8
[M]+ 194.02414 138.3
[M]- 194.02524 138.3
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