CID 45051021

2-(4-tert-butyl-2-(2-(3-chloro-2-methylanilino)-2-oxoethoxy)phenoxy)-n-(3-chloro-2-methylphenyl)acetamide

Structural Information

Molecular Formula
C28H30Cl2N2O4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)COC2=C(C=C(C=C2)C(C)(C)C)OCC(=O)NC3=C(C(=CC=C3)Cl)C
InChI
InChI=1S/C28H30Cl2N2O4/c1-17-20(29)8-6-10-22(17)31-26(33)15-35-24-13-12-19(28(3,4)5)14-25(24)36-16-27(34)32-23-11-7-9-21(30)18(23)2/h6-14H,15-16H2,1-5H3,(H,31,33)(H,32,34)
InChIKey
QQHHIKPJJMHMGZ-UHFFFAOYSA-N
Compound name
2-[4-tert-butyl-2-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]phenoxy]-N-(3-chloro-2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.15826 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.16554 228.0
[M+Na]+ 551.14748 234.5
[M-H]- 527.15098 237.1
[M+NH4]+ 546.19208 235.0
[M+K]+ 567.12142 228.5
[M+H-H2O]+ 511.15552 219.2
[M+HCOO]- 573.15646 239.0
[M+CH3COO]- 587.17211 250.6
[M+Na-2H]- 549.13293 225.6
[M]+ 528.15771 236.8
[M]- 528.15881 236.8
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.