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]+	231.149176	152.8
[M+Na]+	253.131118	162.4
[M-H]-	229.134624	154.9
[M+NH4]+	248.175723	169.8
[M+K]+	269.105058	158.5
[M+H-H2O]+	213.139160	145.0
[M+HCOO]-	275.140101	172.3
[M+CH3COO]-	289.155751	194.7
[M+Na-2H]-	251.116566	158.3
[M]+	230.14135142	155.6
[M]-	230.14244858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe