CID 1739314

2,4-dichlorophenyl 2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C22H13Cl2NO2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H13Cl2NO2/c23-15-10-11-21(18(24)12-15)27-22(26)17-13-20(14-6-2-1-3-7-14)25-19-9-5-4-8-16(17)19/h1-13H
InChIKey
FWKIABJJCFOURU-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.03235 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.03963 188.9
[M+Na]+ 416.02157 199.2
[M-H]- 392.02507 197.3
[M+NH4]+ 411.06617 200.7
[M+K]+ 431.99551 191.0
[M+H-H2O]+ 376.02961 179.1
[M+HCOO]- 438.03055 199.8
[M+CH3COO]- 452.04620 199.0
[M+Na-2H]- 414.00702 192.7
[M]+ 393.03180 194.0
[M]- 393.03290 194.0
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.