CID 24212644

2-(4-tert-butyl-2-(2-(2-ethylanilino)-2-oxoethoxy)phenoxy)-n-(2-ethylphenyl)acetamide

Structural Information

Molecular Formula
C30H36N2O4
SMILES
CCC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C(C)(C)C)OCC(=O)NC3=CC=CC=C3CC
InChI
InChI=1S/C30H36N2O4/c1-6-21-12-8-10-14-24(21)31-28(33)19-35-26-17-16-23(30(3,4)5)18-27(26)36-20-29(34)32-25-15-11-9-13-22(25)7-2/h8-18H,6-7,19-20H2,1-5H3,(H,31,33)(H,32,34)
InChIKey
UKAWZTZHZAONSQ-UHFFFAOYSA-N
Compound name
2-[4-tert-butyl-2-[2-(2-ethylanilino)-2-oxoethoxy]phenoxy]-N-(2-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.26752 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.27480 224.6
[M+Na]+ 511.25674 227.0
[M-H]- 487.26024 233.2
[M+NH4]+ 506.30134 230.8
[M+K]+ 527.23068 222.9
[M+H-H2O]+ 471.26478 213.4
[M+HCOO]- 533.26572 244.1
[M+CH3COO]- 547.28137 247.2
[M+Na-2H]- 509.24219 223.6
[M]+ 488.26697 228.7
[M]- 488.26807 228.7
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.