CID 3050274

66066-04-4

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

CN1CCCN2C1=CC(=CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H16N2O/c1-16-8-5-9-17-14(16)10-13(11-15(17)18)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3

InChIKey

SSKOIMFORCEUOM-UHFFFAOYSA-N

Compound name

1-methyl-8-phenyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 240.12627 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.133546	154.6
[M+Na]+	263.115488	163.1
[M-H]-	239.118994	159.3
[M+NH4]+	258.160093	170.4
[M+K]+	279.089428	158.1
[M+H-H2O]+	223.123530	145.2
[M+HCOO]-	285.124471	173.1
[M+CH3COO]-	299.140121	166.3
[M+Na-2H]-	261.100936	160.9
[M]+	240.12572142	152.6
[M]-	240.12681858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe