CID 45051026

2-(4-tert-butyl-2-(2-(2-ethoxyanilino)-2-oxoethoxy)phenoxy)-n-(2-ethoxyphenyl)acetamide

Structural Information

Molecular Formula
C30H36N2O6
SMILES
CCOC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(C)(C)C)OCC(=O)NC3=CC=CC=C3OCC
InChI
InChI=1S/C30H36N2O6/c1-6-35-24-14-10-8-12-22(24)31-28(33)19-37-26-17-16-21(30(3,4)5)18-27(26)38-20-29(34)32-23-13-9-11-15-25(23)36-7-2/h8-18H,6-7,19-20H2,1-5H3,(H,31,33)(H,32,34)
InChIKey
SORUEVDVKHHRKG-UHFFFAOYSA-N
Compound name
2-[4-tert-butyl-2-[2-(2-ethoxyanilino)-2-oxoethoxy]phenoxy]-N-(2-ethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2573 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26458 229.6
[M+Na]+ 543.24652 231.3
[M-H]- 519.25002 238.1
[M+NH4]+ 538.29112 234.1
[M+K]+ 559.22046 229.0
[M+H-H2O]+ 503.25456 217.7
[M+HCOO]- 565.25550 249.3
[M+CH3COO]- 579.27115 251.5
[M+Na-2H]- 541.23197 229.1
[M]+ 520.25675 236.4
[M]- 520.25785 236.4
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.