CID 80989

6492-81-5

Structural Information

Molecular Formula
C28H26Cl2N2O6
SMILES
CC1=CC(=C(C=C1Cl)OC)NC(=O)CC(=O)C2=CC=C(C=C2)C(=O)CC(=O)NC3=C(C=C(C(=C3)C)Cl)OC
InChI
InChI=1S/C28H26Cl2N2O6/c1-15-9-21(25(37-3)11-19(15)29)31-27(35)13-23(33)17-5-7-18(8-6-17)24(34)14-28(36)32-22-10-16(2)20(30)12-26(22)38-4/h5-12H,13-14H2,1-4H3,(H,31,35)(H,32,36)
InChIKey
VXHLISXRMLVWHM-UHFFFAOYSA-N
Compound name
3-[4-[3-(4-chloro-2-methoxy-5-methylanilino)-3-oxopropanoyl]phenyl]-N-(4-chloro-2-methoxy-5-methylphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

556.1168 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.12408 229.6
[M+Na]+ 579.10602 242.6
[M+NH4]+ 574.15062 233.3
[M+K]+ 595.07996 235.8
[M-H]- 555.10952 234.0
[M+Na-2H]- 577.09147 235.0
[M]+ 556.11625 233.1
[M]- 556.11735 233.1
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.