CID 6435367

Alpha-amylcinnamic acid 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]+ 318.24275 184.2
[M+Na]+ 340.22469 186.3
[M-H]- 316.22819 187.3
[M+NH4]+ 335.26929 198.7
[M+K]+ 356.19863 183.8
[M+H-H2O]+ 300.23273 175.8
[M+HCOO]- 362.23367 205.5
[M+CH3COO]- 376.24932 215.3
[M+Na-2H]- 338.21014 183.4
[M]+ 317.23492 188.7
[M]- 317.23602 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.