CID 336138

1210-07-7

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

CC1=CC(=O)NC2=C1C=CC3=CC=CC=C32

InChI

InChI=1S/C14H11NO/c1-9-8-13(16)15-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3,(H,15,16)

InChIKey

ZMXBCQZLZQUSEA-UHFFFAOYSA-N

Compound name

4-methyl-1H-benzo[h]quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 209.08406 Da
Monoisotopic Mass: 2.5
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]+	210.09134	142.3
[M+Na]+	232.07328	154.1
[M-H]-	208.07678	146.1
[M+NH4]+	227.11788	161.8
[M+K]+	248.04722	148.0
[M+H-H2O]+	192.08132	135.4
[M+HCOO]-	254.08226	163.8
[M+CH3COO]-	268.09791	156.0
[M+Na-2H]-	230.05873	152.6
[M]+	209.08351	143.4
[M]-	209.08461	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe