CID 373179

4-hydroxy-8-methyl-2-phenylquinoline

Structural Information

Molecular Formula

C₁₆H₁₃NO

SMILES

CC1=C2C(=CC=C1)C(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO/c1-11-6-5-9-13-15(18)10-14(17-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18)

InChIKey

NGUWFPQUQMBYJN-UHFFFAOYSA-N

Compound name

8-methyl-2-phenyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 235.09972 Da
Monoisotopic Mass: 3.6
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]+	236.106996	151.6
[M+Na]+	258.088938	161.4
[M-H]-	234.092444	157.1
[M+NH4]+	253.133543	168.5
[M+K]+	274.062878	155.2
[M+H-H2O]+	218.096980	143.6
[M+HCOO]-	280.097921	172.6
[M+CH3COO]-	294.113571	164.2
[M+Na-2H]-	256.074386	159.2
[M]+	235.09917142	150.6
[M]-	235.10026858	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe