CID 15547194

3-(2-chloroethyl)-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C11H15ClN2O2
SMILES
CC1=C(C(=O)N2CCCC(C2=N1)O)CCCl
InChI
InChI=1S/C11H15ClN2O2/c1-7-8(4-5-12)11(16)14-6-2-3-9(15)10(14)13-7/h9,15H,2-6H2,1H3
InChIKey
JKVUGXRJSYRXFN-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

242.0822 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08948 151.3
[M+Na]+ 265.07142 161.5
[M-H]- 241.07492 151.8
[M+NH4]+ 260.11602 168.1
[M+K]+ 281.04536 156.3
[M+H-H2O]+ 225.07946 144.9
[M+HCOO]- 287.08040 164.0
[M+CH3COO]- 301.09605 190.1
[M+Na-2H]- 263.05687 155.9
[M]+ 242.08165 152.7
[M]- 242.08275 152.7
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