CID 3033455

G 1499-2

Structural Information

Molecular Formula

C₁₈H₂₁NO

SMILES

CCC/C(=C/1\CC1C2=C(C(=O)C3=CC=CC=C3N2)C)/C

InChI

InChI=1S/C18H21NO/c1-4-7-11(2)14-10-15(14)17-12(3)18(20)13-8-5-6-9-16(13)19-17/h5-6,8-9,15H,4,7,10H2,1-3H3,(H,19,20)/b14-11+

InChIKey

QEKQMEQFJREWKU-SDNWHVSQSA-N

Compound name

3-methyl-2-[(2E)-2-pentan-2-ylidenecyclopropyl]-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 267.16232 Da
Monoisotopic Mass: 4.3
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]+	268.169596	163.7
[M+Na]+	290.151538	174.0
[M-H]-	266.155044	169.5
[M+NH4]+	285.196143	175.2
[M+K]+	306.125478	167.0
[M+H-H2O]+	250.159580	156.2
[M+HCOO]-	312.160521	182.4
[M+CH3COO]-	326.176171	202.2
[M+Na-2H]-	288.136986	166.1
[M]+	267.16177142	166.1
[M]-	267.16286858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe