CID 1739329

2-isopropyl-5-methylphenyl 2-(4-bromophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H22BrNO2
SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H22BrNO2/c1-16(2)20-13-8-17(3)14-25(20)30-26(29)22-15-24(18-9-11-19(27)12-10-18)28-23-7-5-4-6-21(22)23/h4-16H,1-3H3
InChIKey
OHVDCSGQAURZNQ-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylphenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.0834 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.09068 197.8
[M+Na]+ 482.07262 205.7
[M+NH4]+ 477.11722 202.5
[M+K]+ 498.04656 202.4
[M-H]- 458.07612 203.0
[M+Na-2H]- 480.05807 204.4
[M]+ 459.08285 199.6
[M]- 459.08395 199.6
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.