CID 3066407

110331-54-9

Structural Information

Molecular Formula
C21H33NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCC(CC2)C)O
InChI
InChI=1S/C21H33NO3/c1-4-22(5-2)15-16-25-20(23)19(18-9-7-6-8-10-18)21(24)13-11-17(3)12-14-21/h6-10,17,19,24H,4-5,11-16H2,1-3H3
InChIKey
KDVHNZUOQJPBDE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(1-hydroxy-4-methylcyclohexyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.24603 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.253306 188.4
[M+Na]+ 370.235248 189.2
[M-H]- 346.238754 193.0
[M+NH4]+ 365.279853 202.5
[M+K]+ 386.209188 187.4
[M+H-H2O]+ 330.243290 180.4
[M+HCOO]- 392.244231 204.9
[M+CH3COO]- 406.259881 216.8
[M+Na-2H]- 368.220696 187.0
[M]+ 347.24548142 187.3
[M]- 347.24657858 187.3
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.