CID 710356

N-benzyl-2-(4-tert-butylphenoxy)-n-methylacetamide

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)OCC(=O)N(C)CC2=CC=CC=C2
InChI
InChI=1S/C20H25NO2/c1-20(2,3)17-10-12-18(13-11-17)23-15-19(22)21(4)14-16-8-6-5-7-9-16/h5-13H,14-15H2,1-4H3
InChIKey
CFGJXJSRSXUEHG-UHFFFAOYSA-N
Compound name
N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

311.18854 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.195816 176.9
[M+Na]+ 334.177758 181.6
[M-H]- 310.181264 184.4
[M+NH4]+ 329.222363 191.7
[M+K]+ 350.151698 179.2
[M+H-H2O]+ 294.185800 168.5
[M+HCOO]- 356.186741 198.8
[M+CH3COO]- 370.202391 212.5
[M+Na-2H]- 332.163206 180.2
[M]+ 311.18799142 179.9
[M]- 311.18908858 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.