CID 24898516

Ec 617-648-0

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC1=C(C(=O)N2C=CC=C(C2=N1)O)CCCl
InChI
InChI=1S/C11H11ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h2-3,6,15H,4-5H2,1H3
InChIKey
NMALKTKBJPTUDK-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

238.0509 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 148.1
[M+Na]+ 261.04012 160.3
[M-H]- 237.04362 149.3
[M+NH4]+ 256.08472 165.2
[M+K]+ 277.01406 154.7
[M+H-H2O]+ 221.04816 141.6
[M+HCOO]- 283.04910 163.6
[M+CH3COO]- 297.06475 189.4
[M+Na-2H]- 259.02557 154.7
[M]+ 238.05035 152.3
[M]- 238.05145 152.3
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

patents stripe