CID 2906650

1-methyl-2-oxo-2-phenylethyl 6-methyl-2-phenyl-4-quinolinecarboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15213 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15941 196.9
[M+Na]+ 418.14135 202.5
[M-H]- 394.14485 205.5
[M+NH4]+ 413.18595 206.3
[M+K]+ 434.11529 197.0
[M+H-H2O]+ 378.14939 185.4
[M+HCOO]- 440.15033 214.3
[M+CH3COO]- 454.16598 205.6
[M+Na-2H]- 416.12680 198.3
[M]+ 395.15158 198.1
[M]- 395.15268 198.1
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.