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]+ 298.18016 172.9
[M+Na]+ 320.16210 177.7
[M-H]- 296.16560 178.4
[M+NH4]+ 315.20670 187.2
[M+K]+ 336.13604 173.7
[M+H-H2O]+ 280.17014 164.8
[M+HCOO]- 342.17108 194.0
[M+CH3COO]- 356.18673 206.9
[M+Na-2H]- 318.14755 176.4
[M]+ 297.17233 173.4
[M]- 297.17343 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.