CID 3073830

5-(1,2,3,4-tetrahydro-1-methyl-4-quinolinyl)-4(1h)-pyrimidinone

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 155.6
[M+Na]+ 264.11072 171.2
[M+NH4]+ 259.15532 163.7
[M+K]+ 280.08466 163.2
[M-H]- 240.11422 158.9
[M+Na-2H]- 262.09617 163.6
[M]+ 241.12095 158.7
[M]- 241.12205 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.