CID 54676085

Nsc366408

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC1=C(C2=C(C=C(C=C2)N(C)C)NC1=O)O

InChI

InChI=1S/C12H14N2O2/c1-7-11(15)9-5-4-8(14(2)3)6-10(9)13-12(7)16/h4-6H,1-3H3,(H2,13,15,16)

InChIKey

XPQWPECKQDBFCL-UHFFFAOYSA-N

Compound name

7-(dimethylamino)-4-hydroxy-3-methyl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 218.10553 Da
Monoisotopic Mass: 1.2
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]+	219.11281	146.3
[M+Na]+	241.09475	156.2
[M-H]-	217.09825	149.3
[M+NH4]+	236.13935	164.4
[M+K]+	257.06869	152.8
[M+H-H2O]+	201.10279	139.9
[M+HCOO]-	263.10373	167.6
[M+CH3COO]-	277.11938	191.8
[M+Na-2H]-	239.08020	152.1
[M]+	218.10498	147.2
[M]-	218.10608	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe