CID 45051024

2-(4-tert-butyl-2-(2-(2,6-diethylanilino)-2-oxoethoxy)phenoxy)-n-(2,6-diethylphenyl)acetamide

Structural Information

Molecular Formula
C34H44N2O4
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)COC2=C(C=C(C=C2)C(C)(C)C)OCC(=O)NC3=C(C=CC=C3CC)CC
InChI
InChI=1S/C34H44N2O4/c1-8-23-14-12-15-24(9-2)32(23)35-30(37)21-39-28-19-18-27(34(5,6)7)20-29(28)40-22-31(38)36-33-25(10-3)16-13-17-26(33)11-4/h12-20H,8-11,21-22H2,1-7H3,(H,35,37)(H,36,38)
InChIKey
OGAMULWYBSYVQR-UHFFFAOYSA-N
Compound name
2-[4-tert-butyl-2-[2-(2,6-diethylanilino)-2-oxoethoxy]phenoxy]-N-(2,6-diethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.3301 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.33738 242.3
[M+Na]+ 567.31932 244.6
[M-H]- 543.32282 250.8
[M+NH4]+ 562.36392 246.7
[M+K]+ 583.29326 240.1
[M+H-H2O]+ 527.32736 230.6
[M+HCOO]- 589.32830 260.2
[M+CH3COO]- 603.34395 261.3
[M+Na-2H]- 565.30477 237.8
[M]+ 544.32955 248.5
[M]- 544.33065 248.5
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.