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]+ 312.19582 176.9
[M+Na]+ 334.17776 181.6
[M-H]- 310.18126 184.4
[M+NH4]+ 329.22236 191.7
[M+K]+ 350.15170 179.2
[M+H-H2O]+ 294.18580 168.5
[M+HCOO]- 356.18674 198.8
[M+CH3COO]- 370.20239 212.5
[M+Na-2H]- 332.16321 180.2
[M]+ 311.18799 179.9
[M]- 311.18909 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.