CID 45051022

2-(4-tert-butyl-2-(2-(3-chloroanilino)-2-oxoethoxy)phenoxy)-n-(3-chlorophenyl)acetamide

Structural Information

Molecular Formula
C26H26Cl2N2O4
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=CC=C2)Cl)OCC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C26H26Cl2N2O4/c1-26(2,3)17-10-11-22(33-15-24(31)29-20-8-4-6-18(27)13-20)23(12-17)34-16-25(32)30-21-9-5-7-19(28)14-21/h4-14H,15-16H2,1-3H3,(H,29,31)(H,30,32)
InChIKey
FVEBYHJJXGGUCA-UHFFFAOYSA-N
Compound name
2-[4-tert-butyl-2-[2-(3-chloroanilino)-2-oxoethoxy]phenoxy]-N-(3-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.12695 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.13423 218.9
[M+Na]+ 523.11617 224.5
[M-H]- 499.11967 227.6
[M+NH4]+ 518.16077 226.4
[M+K]+ 539.09011 218.5
[M+H-H2O]+ 483.12421 210.0
[M+HCOO]- 545.12515 230.6
[M+CH3COO]- 559.14080 242.4
[M+Na-2H]- 521.10162 218.9
[M]+ 500.12640 226.2
[M]- 500.12750 226.2
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.