CID 1739323

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

Structural Information

Molecular Formula
C26H22ClNO2
SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H22ClNO2/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
ZPRZHNSAEFOZJA-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylphenyl) 2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1339 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14118 201.4
[M+Na]+ 438.12312 210.0
[M-H]- 414.12662 210.4
[M+NH4]+ 433.16772 212.0
[M+K]+ 454.09706 202.5
[M+H-H2O]+ 398.13116 190.7
[M+HCOO]- 460.13210 215.0
[M+CH3COO]- 474.14775 210.8
[M+Na-2H]- 436.10857 202.0
[M]+ 415.13335 206.1
[M]- 415.13445 206.1
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.