CID 73108

Carbostyril 165

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC1=CC(=O)NC2=C1C=CC(=C2)N(C)C

InChI

InChI=1S/C12H14N2O/c1-8-6-12(15)13-11-7-9(14(2)3)4-5-10(8)11/h4-7H,1-3H3,(H,13,15)

InChIKey

LHWKOWLGYNIFSM-UHFFFAOYSA-N

Compound name

7-(dimethylamino)-4-methyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 938
Patents: 202.11061 Da
Monoisotopic Mass: 1.4
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]+	203.11789	142.6
[M+Na]+	225.09983	152.2
[M-H]-	201.10333	146.6
[M+NH4]+	220.14443	161.9
[M+K]+	241.07377	149.0
[M+H-H2O]+	185.10787	135.9
[M+HCOO]-	247.10881	165.2
[M+CH3COO]-	261.12446	190.8
[M+Na-2H]-	223.08528	149.6
[M]+	202.11006	143.5
[M]-	202.11116	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe