CID 3051038

67239-14-9

Structural Information

Molecular Formula
C21H31NO2
SMILES
CCN(CC)CCOC(=O)C(CCC1=CC=CC=C1)C2CCC=C2
InChI
InChI=1S/C21H31NO2/c1-3-22(4-2)16-17-24-21(23)20(19-12-8-9-13-19)15-14-18-10-6-5-7-11-18/h5-8,10-12,19-20H,3-4,9,13-17H2,1-2H3
InChIKey
JIRZGLFMKICALE-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclopent-2-en-1-yl-4-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.23547 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.24275 186.9
[M+Na]+ 352.22469 188.1
[M-H]- 328.22819 193.0
[M+NH4]+ 347.26929 202.1
[M+K]+ 368.19863 185.7
[M+H-H2O]+ 312.23273 178.0
[M+HCOO]- 374.23367 208.2
[M+CH3COO]- 388.24932 215.6
[M+Na-2H]- 350.21014 184.7
[M]+ 329.23492 189.0
[M]- 329.23602 189.0
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.