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]+ 288.15941 169.0
[M+Na]+ 310.14135 174.7
[M-H]- 286.14485 176.3
[M+NH4]+ 305.18595 184.8
[M+K]+ 326.11529 173.3
[M+H-H2O]+ 270.14939 162.0
[M+HCOO]- 332.15033 191.6
[M+CH3COO]- 346.16598 202.1
[M+Na-2H]- 308.12680 173.3
[M]+ 287.15158 172.5
[M]- 287.15268 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.