CID 13243149

3-benzyl-9-hydroxy-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=C(C(=O)N2C=CC=C(C2=N1)O)CC3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c1-11-13(10-12-6-3-2-4-7-12)16(20)18-9-5-8-14(19)15(18)17-11/h2-9,19H,10H2,1H3
InChIKey
KPDRHTBABOHAAC-UHFFFAOYSA-N
Compound name
3-benzyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.112806 160.7
[M+Na]+ 289.094748 171.2
[M-H]- 265.098254 165.1
[M+NH4]+ 284.139353 175.1
[M+K]+ 305.068688 165.4
[M+H-H2O]+ 249.102790 151.6
[M+HCOO]- 311.103731 180.4
[M+CH3COO]- 325.119381 172.6
[M+Na-2H]- 287.080196 167.4
[M]+ 266.10498142 162.0
[M]- 266.10607858 162.0
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