CID 73547

7596-40-9

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2=CCCC2)O
InChI
InChI=1S/C20H29NO3/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/h5-7,10-12,18-19,22H,3-4,8-9,13-15H2,1-2H3
InChIKey
QEDNEDZUHNKWMR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-(cyclopenten-1-yl)-3-hydroxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.222026 185.3
[M+Na]+ 354.203968 186.1
[M-H]- 330.207474 190.4
[M+NH4]+ 349.248573 199.6
[M+K]+ 370.177908 184.4
[M+H-H2O]+ 314.212010 176.9
[M+HCOO]- 376.212951 204.8
[M+CH3COO]- 390.228601 213.0
[M+Na-2H]- 352.189416 182.2
[M]+ 331.21420142 186.1
[M]- 331.21529858 186.1
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.