CID 720117

303031-94-9

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NC(C)(C)C
InChI
InChI=1S/C19H23NO2/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)22-13-18(21)20-19(2,3)4/h5-12H,13H2,1-4H3,(H,20,21)
InChIKey
FSTIQZXNQUEXPI-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-[4-(4-methylphenyl)phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 172.4
[M+Na]+ 320.16210 178.3
[M-H]- 296.16560 179.0
[M+NH4]+ 315.20670 187.5
[M+K]+ 336.13604 174.8
[M+H-H2O]+ 280.17014 164.6
[M+HCOO]- 342.17108 194.2
[M+CH3COO]- 356.18673 207.4
[M+Na-2H]- 318.14755 176.3
[M]+ 297.17233 174.2
[M]- 297.17343 174.2
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.