CID 1921689

355421-68-0

Structural Information

Molecular Formula
C23H15BrClNO2
SMILES
CC1=CC=CC=C1OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H15BrClNO2/c1-14-4-2-3-5-22(14)28-23(27)19-13-21(15-6-9-17(25)10-7-15)26-20-11-8-16(24)12-18(19)20/h2-13H,1H3
InChIKey
VVWJSCGRQVQOLY-UHFFFAOYSA-N
Compound name
(2-methylphenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.99747 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.00475 193.8
[M+Na]+ 473.98669 203.4
[M+NH4]+ 469.03129 199.3
[M+K]+ 489.96063 198.9
[M-H]- 449.99019 199.3
[M+Na-2H]- 471.97214 201.2
[M]+ 450.99692 196.3
[M]- 450.99802 196.3
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.