CID 309273

6-chloro-4-phenyl-2-(3,4,5-trimethoxyphenyl)quinoline

Structural Information

Molecular Formula
C24H20ClNO3
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C4=CC=CC=C4
InChI
InChI=1S/C24H20ClNO3/c1-27-22-11-16(12-23(28-2)24(22)29-3)21-14-18(15-7-5-4-6-8-15)19-13-17(25)9-10-20(19)26-21/h4-14H,1-3H3
InChIKey
FSAIVDWVCUYMDU-UHFFFAOYSA-N
Compound name
6-chloro-4-phenyl-2-(3,4,5-trimethoxyphenyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.11316 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.12044 198.1
[M+Na]+ 428.10238 208.6
[M-H]- 404.10588 207.7
[M+NH4]+ 423.14698 209.4
[M+K]+ 444.07632 201.9
[M+H-H2O]+ 388.11042 187.1
[M+HCOO]- 450.11136 214.2
[M+CH3COO]- 464.12701 208.5
[M+Na-2H]- 426.08783 201.1
[M]+ 405.11261 205.6
[M]- 405.11371 205.7
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.