CID 6435254

5-(diethylamino)-2-pentyl cinnamate hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCN(CC)CCCC(C)OC(=O)/C=C/C1=CC=CC=C1
InChI
InChI=1S/C18H27NO2/c1-4-19(5-2)15-9-10-16(3)21-18(20)14-13-17-11-7-6-8-12-17/h6-8,11-14,16H,4-5,9-10,15H2,1-3H3/b14-13+
InChIKey
FTORMBIFYUHEHW-BUHFOSPRSA-N
Compound name
5-(diethylamino)pentan-2-yl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 175.0
[M+Na]+ 312.19342 177.9
[M-H]- 288.19692 178.5
[M+NH4]+ 307.23802 190.6
[M+K]+ 328.16736 175.9
[M+H-H2O]+ 272.20146 167.0
[M+HCOO]- 334.20240 196.9
[M+CH3COO]- 348.21805 209.4
[M+Na-2H]- 310.17887 175.3
[M]+ 289.20365 178.7
[M]- 289.20475 178.7
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.