CID 3666553

355419-82-8

Structural Information

Molecular Formula
C24H18ClNO2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H18ClNO2/c1-15-3-6-17(7-4-15)23-14-21(20-13-16(2)5-12-22(20)26-23)24(27)28-19-10-8-18(25)9-11-19/h3-14H,1-2H3
InChIKey
RDGWXBBONXZHRQ-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1026 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10988 193.4
[M+Na]+ 410.09182 203.2
[M-H]- 386.09532 202.7
[M+NH4]+ 405.13642 205.2
[M+K]+ 426.06576 195.6
[M+H-H2O]+ 370.09986 182.8
[M+HCOO]- 432.10080 208.6
[M+CH3COO]- 446.11645 203.7
[M+Na-2H]- 408.07727 196.0
[M]+ 387.10205 197.9
[M]- 387.10315 197.9
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.