CID 2906526

1-methyl-2-oxo-2-phenylethyl 2-(4-methoxyphenyl)-8-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C27H23NO4
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OC(C)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H23NO4/c1-17-8-7-11-22-23(27(30)32-18(2)26(29)20-9-5-4-6-10-20)16-24(28-25(17)22)19-12-14-21(31-3)15-13-19/h4-16,18H,1-3H3
InChIKey
DHPZTEYMJVIPOR-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylpropan-2-yl) 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.16272 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17000 204.5
[M+Na]+ 448.15194 210.2
[M-H]- 424.15544 213.2
[M+NH4]+ 443.19654 212.8
[M+K]+ 464.12588 205.5
[M+H-H2O]+ 408.15998 192.7
[M+HCOO]- 470.16092 221.6
[M+CH3COO]- 484.17657 230.3
[M+Na-2H]- 446.13739 204.7
[M]+ 425.16217 207.8
[M]- 425.16327 207.8
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.