CID 168386

Amedin

Structural Information

Molecular Formula
C18H27NO3
SMILES
CN(C)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C18H27NO3/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,21H,4,7-8,11-14H2,1-2H3
InChIKey
BGUILKOLBPOILU-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

305.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 174.2
[M+Na]+ 328.188318 175.0
[M-H]- 304.191824 178.9
[M+NH4]+ 323.232923 187.8
[M+K]+ 344.162258 173.4
[M+H-H2O]+ 288.196360 166.1
[M+HCOO]- 350.197301 191.1
[M+CH3COO]- 364.212951 206.7
[M+Na-2H]- 326.173766 176.1
[M]+ 305.19855142 171.4
[M]- 305.19964858 171.4
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