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]+ 332.22203 185.3
[M+Na]+ 354.20397 186.1
[M-H]- 330.20747 190.4
[M+NH4]+ 349.24857 199.6
[M+K]+ 370.17791 184.4
[M+H-H2O]+ 314.21201 176.9
[M+HCOO]- 376.21295 204.8
[M+CH3COO]- 390.22860 213.0
[M+Na-2H]- 352.18942 182.2
[M]+ 331.21420 186.1
[M]- 331.21530 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.