CID 1930159

2-isopropyl-5-methylphenyl 6-bromo-2-(4-chlorophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H21BrClNO2
SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H21BrClNO2/c1-15(2)20-10-4-16(3)12-25(20)31-26(30)22-14-24(17-5-8-19(28)9-6-17)29-23-11-7-18(27)13-21(22)23/h4-15H,1-3H3
InChIKey
HQLJFYBVVBDNBR-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylphenyl) 6-bromo-2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.04443 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.05171 210.9
[M+Na]+ 516.03365 222.3
[M-H]- 492.03715 222.1
[M+NH4]+ 511.07825 222.6
[M+K]+ 532.00759 208.4
[M+H-H2O]+ 476.04169 207.5
[M+HCOO]- 538.04263 222.3
[M+CH3COO]- 552.05828 221.5
[M+Na-2H]- 514.01910 211.6
[M]+ 493.04388 234.0
[M]- 493.04498 234.0
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.