CID 202114

7512-24-5

Structural Information

Molecular Formula
C20H31NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCC2)O
InChI
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-24-20(23)18(16-10-6-5-7-11-16)19(22)17-12-8-9-13-17/h5-7,10-11,17-19,22H,3-4,8-9,12-15H2,1-2H3
InChIKey
ZMMPWOWHQKYBOW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-cyclopentyl-3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.2304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.237676 186.5
[M+Na]+ 356.219618 186.3
[M-H]- 332.223124 191.2
[M+NH4]+ 351.264223 200.6
[M+K]+ 372.193558 184.8
[M+H-H2O]+ 316.227660 178.2
[M+HCOO]- 378.228601 204.5
[M+CH3COO]- 392.244251 213.4
[M+Na-2H]- 354.205066 182.5
[M]+ 333.22985142 185.8
[M]- 333.23094858 185.8
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.