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]+ 334.23768 186.5
[M+Na]+ 356.21962 186.3
[M-H]- 332.22312 191.2
[M+NH4]+ 351.26422 200.6
[M+K]+ 372.19356 184.8
[M+H-H2O]+ 316.22766 178.2
[M+HCOO]- 378.22860 204.5
[M+CH3COO]- 392.24425 213.4
[M+Na-2H]- 354.20507 182.5
[M]+ 333.22985 185.8
[M]- 333.23095 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.