CID 3073166

146967-52-4

Structural Information

Molecular Formula

C₁₄H₁₈N₂O

SMILES

CC1=CC2=C(N=CC=C2)N(C1=O)CCC(C)C

InChI

InChI=1S/C14H18N2O/c1-10(2)6-8-16-13-12(5-4-7-15-13)9-11(3)14(16)17/h4-5,7,9-10H,6,8H2,1-3H3

InChIKey

LYEKNWXOMLLNEI-UHFFFAOYSA-N

Compound name

3-methyl-1-(3-methylbutyl)-1,8-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 230.1419 Da
Monoisotopic Mass: 2.8
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]+	231.14918	152.9
[M+Na]+	253.13112	167.8
[M+NH4]+	248.17572	161.0
[M+K]+	269.10506	160.2
[M-H]-	229.13462	154.9
[M+Na-2H]-	251.11657	159.4
[M]+	230.14135	155.6
[M]-	230.14245	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe