CID 193981

Cinnamaverine

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

CCN(CC)CCOC(=O)C(=CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO2/c1-3-22(4-2)15-16-24-21(23)20(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14,17H,3-4,15-16H2,1-2H3

InChIKey

UTTZVFFEPWFVRY-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2,3-diphenylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 323.18854 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe