CID 54686494

Oprea1_540489

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]+ 323.13902 175.5
[M+Na]+ 345.12096 184.0
[M-H]- 321.12446 179.8
[M+NH4]+ 340.16556 188.0
[M+K]+ 361.09490 177.9
[M+H-H2O]+ 305.12900 167.0
[M+HCOO]- 367.12994 194.4
[M+CH3COO]- 381.14559 208.7
[M+Na-2H]- 343.10641 178.9
[M]+ 322.13119 175.3
[M]- 322.13229 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.