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]+ 351.170336 184.0
[M+Na]+ 373.152278 191.2
[M-H]- 349.155784 188.9
[M+NH4]+ 368.196883 195.7
[M+K]+ 389.126218 185.3
[M+H-H2O]+ 333.160320 174.5
[M+HCOO]- 395.161261 203.7
[M+CH3COO]- 409.176911 215.6
[M+Na-2H]- 371.137726 187.5
[M]+ 350.16251142 185.8
[M]- 350.16360858 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.