CID 19167555

N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)COC2=C(C=CC(=C2)C)C
InChI
InChI=1S/C20H25NO2/c1-4-5-6-17-9-11-18(12-10-17)21-20(22)14-23-19-13-15(2)7-8-16(19)3/h7-13H,4-6,14H2,1-3H3,(H,21,22)
InChIKey
FITLZUNZXVZHKF-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.9
[M+Na]+ 334.17776 182.8
[M-H]- 310.18126 183.3
[M+NH4]+ 329.22236 191.6
[M+K]+ 350.15170 178.6
[M+H-H2O]+ 294.18580 168.4
[M+HCOO]- 356.18674 199.9
[M+CH3COO]- 370.20239 211.8
[M+Na-2H]- 332.16321 178.7
[M]+ 311.18799 180.0
[M]- 311.18909 180.0
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.