CID 1739379

2,4-dichlorophenyl 8-methyl-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C23H15Cl2NO2
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H15Cl2NO2/c1-14-6-5-9-17-18(23(27)28-21-11-10-16(24)12-19(21)25)13-20(26-22(14)17)15-7-3-2-4-8-15/h2-13H,1H3
InChIKey
VBPXIWHAFVRJLT-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl) 8-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.04797 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05525 193.6
[M+Na]+ 430.03719 204.3
[M-H]- 406.04069 202.2
[M+NH4]+ 425.08179 205.2
[M+K]+ 446.01113 196.1
[M+H-H2O]+ 390.04523 183.8
[M+HCOO]- 452.04617 204.2
[M+CH3COO]- 466.06182 203.7
[M+Na-2H]- 428.02264 196.1
[M]+ 407.04742 199.5
[M]- 407.04852 199.5
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.