CID 54686518

N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C22H23N3O4
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3C(=O)N)O
InChI
InChI=1S/C22H23N3O4/c1-2-3-8-13-25-17-12-7-5-10-15(17)19(26)18(22(25)29)21(28)24-16-11-6-4-9-14(16)20(23)27/h4-7,9-12,26H,2-3,8,13H2,1H3,(H2,23,27)(H,24,28)
InChIKey
ZFGSFFRHWKXHIV-UHFFFAOYSA-N
Compound name
N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.16885 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.176126 194.5
[M+Na]+ 416.158068 200.8
[M-H]- 392.161574 199.1
[M+NH4]+ 411.202673 203.7
[M+K]+ 432.132008 195.6
[M+H-H2O]+ 376.166110 184.7
[M+HCOO]- 438.167051 213.5
[M+CH3COO]- 452.182701 227.3
[M+Na-2H]- 414.143516 195.3
[M]+ 393.16830142 195.6
[M]- 393.16939858 195.6
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.