CID 54689723

303093-45-0

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCCC3=CC=CC=C3)O
InChI
InChI=1S/C21H22N2O3/c1-2-14-23-17-11-7-6-10-16(17)19(24)18(21(23)26)20(25)22-13-12-15-8-4-3-5-9-15/h3-11,24H,2,12-14H2,1H3,(H,22,25)
InChIKey
ZXVBCIOVJGHFDD-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-N-(2-phenylethyl)-1-propylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 184.7
[M+Na]+ 373.15228 198.9
[M+NH4]+ 368.19688 191.4
[M+K]+ 389.12622 190.8
[M-H]- 349.15578 188.7
[M+Na-2H]- 371.13773 191.8
[M]+ 350.16251 187.8
[M]- 350.16361 187.8
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.