CID 54684071

300716-27-2

Structural Information

Molecular Formula
C19H16Cl2N2O3
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H16Cl2N2O3/c1-2-9-23-15-6-4-3-5-12(15)17(24)16(19(23)26)18(25)22-14-8-7-11(20)10-13(14)21/h3-8,10,24H,2,9H2,1H3,(H,22,25)
InChIKey
WBDVBOGLLDABFR-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0538 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06108 186.3
[M+Na]+ 413.04302 197.3
[M-H]- 389.04652 191.3
[M+NH4]+ 408.08762 198.5
[M+K]+ 429.01696 189.6
[M+H-H2O]+ 373.05106 179.1
[M+HCOO]- 435.05200 197.2
[M+CH3COO]- 449.06765 219.8
[M+Na-2H]- 411.02847 188.3
[M]+ 390.05325 192.2
[M]- 390.05435 192.2
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.