CID 1739313

2-isopropyl-5-methylphenyl 2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H23NO2
SMILES
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C26H23NO2/c1-17(2)20-14-13-18(3)15-25(20)29-26(28)22-16-24(19-9-5-4-6-10-19)27-23-12-8-7-11-21(22)23/h4-17H,1-3H3
InChIKey
MXQSZOUMOJFZKG-UHFFFAOYSA-N
Compound name
(5-methyl-2-propan-2-ylphenyl) 2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.17288 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18016 195.6
[M+Na]+ 404.16210 202.4
[M-H]- 380.16560 204.5
[M+NH4]+ 399.20670 206.2
[M+K]+ 420.13604 196.2
[M+H-H2O]+ 364.17014 184.2
[M+HCOO]- 426.17108 213.6
[M+CH3COO]- 440.18673 204.9
[M+Na-2H]- 402.14755 197.2
[M]+ 381.17233 197.1
[M]- 381.17343 197.1
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.