CID 1347592

355420-81-4

Structural Information

Molecular Formula
C26H20N2O6
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C26H20N2O6/c1-16-4-3-5-21-22(14-23(27-25(16)21)17-8-12-20(33-2)13-9-17)26(30)34-15-24(29)18-6-10-19(11-7-18)28(31)32/h3-14H,15H2,1-2H3
InChIKey
NCBGIFWFHDZWEQ-UHFFFAOYSA-N
Compound name
[2-(4-nitrophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.13214 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.13942 206.3
[M+Na]+ 479.12136 222.7
[M+NH4]+ 474.16596 212.1
[M+K]+ 495.09530 217.6
[M-H]- 455.12486 213.1
[M+Na-2H]- 477.10681 214.9
[M]+ 456.13159 210.5
[M]- 456.13269 210.5
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.