CID 18353642

3-(2-chloroethyl)-2-methyl-9-(phenylmethoxy)-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C18H17ClN2O2
SMILES
CC1=C(C(=O)N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CCCl
InChI
InChI=1S/C18H17ClN2O2/c1-13-15(9-10-19)18(22)21-11-5-8-16(17(21)20-13)23-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3
InChIKey
DFZLZGAIWJGCIJ-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-2-methyl-9-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

328.09787 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.105146 175.3
[M+Na]+ 351.087088 186.0
[M-H]- 327.090594 180.2
[M+NH4]+ 346.131693 188.7
[M+K]+ 367.061028 179.1
[M+H-H2O]+ 311.095130 165.6
[M+HCOO]- 373.096071 191.1
[M+CH3COO]- 387.111721 186.4
[M+Na-2H]- 349.072536 180.8
[M]+ 328.09732142 181.1
[M]- 328.09841858 181.1
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