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]+ 385.131356 190.3
[M+Na]+ 407.113298 199.2
[M-H]- 383.116804 195.4
[M+NH4]+ 402.157903 201.9
[M+K]+ 423.087238 191.9
[M+H-H2O]+ 367.121340 181.7
[M+HCOO]- 429.122281 205.5
[M+CH3COO]- 443.137931 220.4
[M+Na-2H]- 405.098746 192.7
[M]+ 384.12353142 195.0
[M]- 384.12462858 195.0
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.