CID 3073830

153004-53-6

Structural Information

Molecular Formula
C14H15N3O
SMILES
CN1CCC(C2=CC=CC=C21)C3=CN=CNC3=O
InChI
InChI=1S/C14H15N3O/c1-17-7-6-10(11-4-2-3-5-13(11)17)12-8-15-9-16-14(12)18/h2-5,8-10H,6-7H2,1H3,(H,15,16,18)
InChIKey
IDWBAAQXPFBBRZ-UHFFFAOYSA-N
Compound name
5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 156.0
[M+Na]+ 264.11072 164.6
[M-H]- 240.11422 158.0
[M+NH4]+ 259.15532 169.7
[M+K]+ 280.08466 158.6
[M+H-H2O]+ 224.11876 146.3
[M+HCOO]- 286.11970 172.0
[M+CH3COO]- 300.13535 166.6
[M+Na-2H]- 262.09617 162.4
[M]+ 241.12095 152.4
[M]- 241.12205 152.4
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

No patent data available for this compound.