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

4
Patents

240.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 154.6
[M+Na]+ 263.11549 163.1
[M-H]- 239.11899 159.3
[M+NH4]+ 258.16009 170.4
[M+K]+ 279.08943 158.1
[M+H-H2O]+ 223.12353 145.2
[M+HCOO]- 285.12447 173.1
[M+CH3COO]- 299.14012 166.3
[M+Na-2H]- 261.10094 160.9
[M]+ 240.12572 152.6
[M]- 240.12682 152.6
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