CID 2063977

355421-72-6

Structural Information

Molecular Formula
C24H17BrClNO2
SMILES
CC1=C(C=C(C=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C24H17BrClNO2/c1-14-3-9-19(11-15(14)2)29-24(28)21-13-23(16-4-7-18(26)8-5-16)27-22-10-6-17(25)12-20(21)22/h3-13H,1-2H3
InChIKey
PLQHMPFATGIBJH-UHFFFAOYSA-N
Compound name
(3,4-dimethylphenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.01312 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.02040 202.7
[M+Na]+ 488.00234 215.4
[M-H]- 464.00584 214.3
[M+NH4]+ 483.04694 215.6
[M+K]+ 503.97628 201.4
[M+H-H2O]+ 448.01038 199.6
[M+HCOO]- 510.01132 215.7
[M+CH3COO]- 524.02697 214.3
[M+Na-2H]- 485.98779 205.4
[M]+ 465.01257 225.8
[M]- 465.01367 225.8
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.