CID 725994

2-(2-tert-butylphenoxy)-n-(2-furylmethyl)acetamide

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC(C)(C)C1=CC=CC=C1OCC(=O)NCC2=CC=CO2
InChI
InChI=1S/C17H21NO3/c1-17(2,3)14-8-4-5-9-15(14)21-12-16(19)18-11-13-7-6-10-20-13/h4-10H,11-12H2,1-3H3,(H,18,19)
InChIKey
CUZDBIDSANXDAD-UHFFFAOYSA-N
Compound name
2-(2-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

287.15213 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 169.0
[M+Na]+ 310.141348 174.7
[M-H]- 286.144854 176.3
[M+NH4]+ 305.185953 184.8
[M+K]+ 326.115288 173.3
[M+H-H2O]+ 270.149390 162.0
[M+HCOO]- 332.150331 191.6
[M+CH3COO]- 346.165981 202.1
[M+Na-2H]- 308.126796 173.3
[M]+ 287.15158142 172.5
[M]- 287.15267858 172.5
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.