CID 6435001

Cinnamic acid, (2-(dimethylamino)-1-phenyl)ethyl ester

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)CC(C1=CC=CC=C1)OC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H21NO2/c1-20(2)15-18(17-11-7-4-8-12-17)22-19(21)14-13-16-9-5-3-6-10-16/h3-14,18H,15H2,1-2H3/b14-13+
InChIKey
GXQCGNHOADKKIJ-BUHFOSPRSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 172.5
[M+Na]+ 318.146448 176.2
[M-H]- 294.149954 179.5
[M+NH4]+ 313.191053 187.3
[M+K]+ 334.120388 173.4
[M+H-H2O]+ 278.154490 163.6
[M+HCOO]- 340.155431 195.5
[M+CH3COO]- 354.171081 208.1
[M+Na-2H]- 316.131896 175.0
[M]+ 295.15668142 173.8
[M]- 295.15777858 173.8
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.