CID 3054647

71548-74-8

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCCC(C)(C(=O)N)OC1=CC=C(C=C1)CC2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-3-13-19(2,18(20)21)22-17-11-9-16(10-12-17)14-15-7-5-4-6-8-15/h4-12H,3,13-14H2,1-2H3,(H2,20,21)
InChIKey
VRJXCSYRCCALAO-UHFFFAOYSA-N
Compound name
2-(4-benzylphenoxy)-2-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.180156 172.9
[M+Na]+ 320.162098 177.7
[M-H]- 296.165604 178.4
[M+NH4]+ 315.206703 187.2
[M+K]+ 336.136038 173.7
[M+H-H2O]+ 280.170140 164.8
[M+HCOO]- 342.171081 194.0
[M+CH3COO]- 356.186731 206.9
[M+Na-2H]- 318.147546 176.4
[M]+ 297.17233142 173.4
[M]- 297.17342858 173.4
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.