CID 202095

7477-25-0

Structural Information

Molecular Formula
C21H33NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCCC2)O
InChI
InChI=1S/C21H33NO3/c1-3-22(4-2)15-16-25-21(24)19(17-11-7-5-8-12-17)20(23)18-13-9-6-10-14-18/h5,7-8,11-12,18-20,23H,3-4,6,9-10,13-16H2,1-2H3
InChIKey
XPKGNQQIWJCGHZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-cyclohexyl-3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.24603 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.25331 189.0
[M+Na]+ 370.23525 187.5
[M-H]- 346.23875 192.9
[M+NH4]+ 365.27985 200.5
[M+K]+ 386.20919 185.8
[M+H-H2O]+ 330.24329 180.0
[M+HCOO]- 392.24423 204.4
[M+CH3COO]- 406.25988 217.0
[M+Na-2H]- 368.22070 185.9
[M]+ 347.24548 186.5
[M]- 347.24658 186.5
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

patents stripe