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 184.0
[M+Na]+ 373.15228 191.2
[M-H]- 349.15578 188.9
[M+NH4]+ 368.19688 195.7
[M+K]+ 389.12622 185.3
[M+H-H2O]+ 333.16032 174.5
[M+HCOO]- 395.16126 203.7
[M+CH3COO]- 409.17691 215.6
[M+Na-2H]- 371.13773 187.5
[M]+ 350.16251 185.8
[M]- 350.16361 185.8
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.