CID 54679217

303093-25-6

Structural Information

Molecular Formula
C21H21ClN2O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C21H21ClN2O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-15-11-9-14(22)10-12-15/h4-5,7-12,25H,2-3,6,13H2,1H3,(H,23,26)
InChIKey
KVWPGHZGRLNDEQ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.12408 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13136 190.8
[M+Na]+ 407.11330 206.3
[M+NH4]+ 402.15790 197.8
[M+K]+ 423.08724 197.4
[M-H]- 383.11680 195.0
[M+Na-2H]- 405.09875 197.7
[M]+ 384.12353 194.5
[M]- 384.12463 194.5
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.