CID 6435367

Cinnamic acid, alpha-pentyl-, 2-(diethylamino)ethyl ester

Structural Information

Molecular Formula
C20H31NO2
SMILES
CCCCC/C(=C\C1=CC=CC=C1)/C(=O)OCCN(CC)CC
InChI
InChI=1S/C20H31NO2/c1-4-7-9-14-19(17-18-12-10-8-11-13-18)20(22)23-16-15-21(5-2)6-3/h8,10-13,17H,4-7,9,14-16H2,1-3H3/b19-17+
InChIKey
GIEYSQGTCUJARL-HTXNQAPBSA-N
Compound name
2-(diethylamino)ethyl (2E)-2-benzylideneheptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 184.2
[M+Na]+ 340.224688 186.3
[M-H]- 316.228194 187.3
[M+NH4]+ 335.269293 198.7
[M+K]+ 356.198628 183.8
[M+H-H2O]+ 300.232730 175.8
[M+HCOO]- 362.233671 205.5
[M+CH3COO]- 376.249321 215.3
[M+Na-2H]- 338.210136 183.4
[M]+ 317.23492142 188.7
[M]- 317.23601858 188.7
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.