CID 1921595

2-oxo-2-phenylethyl 3-methyl-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C25H19NO3
SMILES
CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H19NO3/c1-17-23(25(28)29-16-22(27)18-10-4-2-5-11-18)20-14-8-9-15-21(20)26-24(17)19-12-6-3-7-13-19/h2-15H,16H2,1H3
InChIKey
LTLMFAHBUUUVFW-UHFFFAOYSA-N
Compound name
phenacyl 3-methyl-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1365 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.14378 193.1
[M+Na]+ 404.12572 199.5
[M-H]- 380.12922 201.8
[M+NH4]+ 399.17032 203.2
[M+K]+ 420.09966 193.6
[M+H-H2O]+ 364.13376 181.6
[M+HCOO]- 426.13470 211.8
[M+CH3COO]- 440.15035 202.3
[M+Na-2H]- 402.11117 196.1
[M]+ 381.13595 194.5
[M]- 381.13705 194.5
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.