CID 1934453

355433-11-3

Structural Information

Molecular Formula
C26H19Cl2NO4
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C26H19Cl2NO4/c1-15-4-3-5-19-21(13-23(29-25(15)19)16-6-9-18(32-2)10-7-16)26(31)33-14-24(30)20-11-8-17(27)12-22(20)28/h3-13H,14H2,1-2H3
InChIKey
KMXPXJGAGIMGAJ-UHFFFAOYSA-N
Compound name
[2-(2,4-dichlorophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.06912 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.07640 210.0
[M+Na]+ 502.05834 219.6
[M-H]- 478.06184 218.7
[M+NH4]+ 497.10294 218.5
[M+K]+ 518.03228 212.7
[M+H-H2O]+ 462.06638 199.7
[M+HCOO]- 524.06732 219.1
[M+CH3COO]- 538.08297 218.7
[M+Na-2H]- 500.04379 209.6
[M]+ 479.06857 218.8
[M]- 479.06967 218.8
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.