CID 54686494

302800-85-7

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC1=CC(=C(C=C1)NC(=O)CC2=C(C3=CC=CC=C3NC2=O)O)C
InChI
InChI=1S/C19H18N2O3/c1-11-7-8-15(12(2)9-11)20-17(22)10-14-18(23)13-5-3-4-6-16(13)21-19(14)24/h3-9H,10H2,1-2H3,(H,20,22)(H2,21,23,24)
InChIKey
NKNDSSKIUXUHPK-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 175.5
[M+Na]+ 345.120958 184.0
[M-H]- 321.124464 179.8
[M+NH4]+ 340.165563 188.0
[M+K]+ 361.094898 177.9
[M+H-H2O]+ 305.129000 167.0
[M+HCOO]- 367.129941 194.4
[M+CH3COO]- 381.145591 208.7
[M+Na-2H]- 343.106406 178.9
[M]+ 322.13119142 175.3
[M]- 322.13228858 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.