CID 6435700

Cinnamic acid, alpha-((diethylamino)methyl)benzyl ester

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CC(C1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H25NO2/c1-3-22(4-2)17-20(19-13-9-6-10-14-19)24-21(23)16-15-18-11-7-5-8-12-18/h5-16,20H,3-4,17H2,1-2H3/b16-15+
InChIKey
IHHBYOKVAZFORU-FOCLMDBBSA-N
Compound name
[2-(diethylamino)-1-phenylethyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 181.8
[M+Na]+ 346.177758 184.6
[M-H]- 322.181264 188.4
[M+NH4]+ 341.222363 195.4
[M+K]+ 362.151698 181.3
[M+H-H2O]+ 306.185800 172.5
[M+HCOO]- 368.186741 204.1
[M+CH3COO]- 382.202391 214.0
[M+Na-2H]- 344.163206 183.1
[M]+ 323.18799142 183.8
[M]- 323.18908858 183.8
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.