CID 54679773

Nsc675973

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C18H16N2O3/c21-16-13-8-4-5-9-14(13)20-18(23)15(16)17(22)19-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)(H2,20,21,23)
InChIKey
CRJBVUCXSLZFQS-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

308.1161 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 169.9
[M+Na]+ 331.10532 177.1
[M-H]- 307.10882 173.7
[M+NH4]+ 326.14992 182.4
[M+K]+ 347.07926 171.0
[M+H-H2O]+ 291.11336 161.2
[M+HCOO]- 353.11430 189.2
[M+CH3COO]- 367.12995 203.2
[M+Na-2H]- 329.09077 175.4
[M]+ 308.11555 168.6
[M]- 308.11665 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.