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]+ 242.128776 156.0
[M+Na]+ 264.110718 164.6
[M-H]- 240.114224 158.0
[M+NH4]+ 259.155323 169.7
[M+K]+ 280.084658 158.6
[M+H-H2O]+ 224.118760 146.3
[M+HCOO]- 286.119701 172.0
[M+CH3COO]- 300.135351 166.6
[M+Na-2H]- 262.096166 162.4
[M]+ 241.12095142 152.4
[M]- 241.12204858 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.