CID 2063976

355421-70-4

Structural Information

Molecular Formula
C23H15BrClNO2
SMILES
CC1=CC=C(C=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H15BrClNO2/c1-14-2-9-18(10-3-14)28-23(27)20-13-22(15-4-7-17(25)8-5-15)26-21-11-6-16(24)12-19(20)21/h2-13H,1H3
InChIKey
WEOSAAZLQUDRNQ-UHFFFAOYSA-N
Compound name
(4-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 198.2
[M+Na]+ 473.98669 210.5
[M-H]- 449.99019 209.6
[M+NH4]+ 469.03129 211.4
[M+K]+ 489.96063 196.6
[M+H-H2O]+ 433.99473 195.2
[M+HCOO]- 495.99567 211.6
[M+CH3COO]- 510.01132 210.0
[M+Na-2H]- 471.97214 202.1
[M]+ 450.99692 220.6
[M]- 450.99802 220.6
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.