CID 1739288

1-naphthyl 2-(4-chlorophenyl)-8-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C27H18ClNO2
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C27H18ClNO2/c1-17-6-4-10-22-23(16-24(29-26(17)22)19-12-14-20(28)15-13-19)27(30)31-25-11-5-8-18-7-2-3-9-21(18)25/h2-16H,1H3
InChIKey
CRPVCRYBXHBAQX-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-(4-chlorophenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1026 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.10988 203.6
[M+Na]+ 446.09182 214.0
[M-H]- 422.09532 213.5
[M+NH4]+ 441.13642 214.3
[M+K]+ 462.06576 205.3
[M+H-H2O]+ 406.09986 191.7
[M+HCOO]- 468.10080 218.3
[M+CH3COO]- 482.11645 213.2
[M+Na-2H]- 444.07727 208.2
[M]+ 423.10205 208.8
[M]- 423.10315 208.8
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.