CID 1936543

355826-65-2

Structural Information

Molecular Formula
C26H21NO3
SMILES
CC1=CC2=C(C=C(N=C2C=C1)C)C(=O)OCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H21NO3/c1-17-8-13-24-22(14-17)23(15-18(2)27-24)26(29)30-16-25(28)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3
InChIKey
LDCHTLQMRPUPIO-UHFFFAOYSA-N
Compound name
[2-oxo-2-(4-phenylphenyl)ethyl] 2,6-dimethylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.15213 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15941 197.7
[M+Na]+ 418.14135 204.6
[M-H]- 394.14485 206.6
[M+NH4]+ 413.18595 207.5
[M+K]+ 434.11529 198.6
[M+H-H2O]+ 378.14939 186.2
[M+HCOO]- 440.15033 216.1
[M+CH3COO]- 454.16598 206.9
[M+Na-2H]- 416.12680 199.5
[M]+ 395.15158 199.9
[M]- 395.15268 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.