CID 776362

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

Structural Information

Molecular Formula
C9H6BrClN2O
SMILES
C1=CC2=NC(=CC(=O)N2C=C1Br)CCl
InChI
InChI=1S/C9H6BrClN2O/c10-6-1-2-8-12-7(4-11)3-9(14)13(8)5-6/h1-3,5H,4H2
InChIKey
HKULCEKJGGNDSO-UHFFFAOYSA-N
Compound name
7-bromo-2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

271.9352 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.94248 142.4
[M+Na]+ 294.92442 158.0
[M-H]- 270.92792 147.6
[M+NH4]+ 289.96902 162.4
[M+K]+ 310.89836 144.8
[M+H-H2O]+ 254.93246 142.5
[M+HCOO]- 316.93340 157.9
[M+CH3COO]- 330.94905 157.9
[M+Na-2H]- 292.90987 152.5
[M]+ 271.93465 164.5
[M]- 271.93575 164.5
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