CID 4042330

N-(1-adamantyl)-2-phenoxyacetamide

Structural Information

Molecular Formula
C18H23NO2
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)COC4=CC=CC=C4
InChI
InChI=1S/C18H23NO2/c20-17(12-21-16-4-2-1-3-5-16)19-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20)
InChIKey
OZKAFRPZFRYKJQ-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

285.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 163.2
[M+Na]+ 308.162098 163.2
[M-H]- 284.165604 160.8
[M+NH4]+ 303.206703 184.8
[M+K]+ 324.136038 159.5
[M+H-H2O]+ 268.170140 154.7
[M+HCOO]- 330.171081 170.5
[M+CH3COO]- 344.186731 170.4
[M+Na-2H]- 306.147546 173.5
[M]+ 285.17233142 162.8
[M]- 285.17342858 162.8
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

patents stripe