CID 710667

314054-13-2

Structural Information

Molecular Formula

C₁₇H₁₇NO₂

SMILES

COC1=CC=C(C=C1)C(=O)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C17H17NO2/c1-20-15-10-8-14(9-11-15)17(19)18-12-4-6-13-5-2-3-7-16(13)18/h2-3,5,7-11H,4,6,12H2,1H3

InChIKey

ISOIKTAKKIUWNB-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-quinolin-1-yl-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 0
Patents: 267.12592 Da
Monoisotopic Mass: 3.3
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]+	268.133196	161.4
[M+Na]+	290.115138	167.8
[M-H]-	266.118644	167.0
[M+NH4]+	285.159743	177.1
[M+K]+	306.089078	163.7
[M+H-H2O]+	250.123180	152.5
[M+HCOO]-	312.124121	179.9
[M+CH3COO]-	326.139771	172.5
[M+Na-2H]-	288.100586	166.4
[M]+	267.12537142	160.0
[M]-	267.12646858	160.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.