CID 5357650

N-trans-cinnamoylimidazole

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

C1=CC=C(C=C1)/C=C/C(=O)N2C=CN=C2

InChI

InChI=1S/C12H10N2O/c15-12(14-9-8-13-10-14)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+

InChIKey

XVGXMXZUJNAGFZ-VOTSOKGWSA-N

Compound name

(E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 226
Patents: 198.07932 Da
Monoisotopic Mass: 1.7
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]+	199.086596	143.1
[M+Na]+	221.068538	151.0
[M-H]-	197.072044	147.1
[M+NH4]+	216.113143	161.0
[M+K]+	237.042478	147.3
[M+H-H2O]+	181.076580	134.7
[M+HCOO]-	243.077521	166.0
[M+CH3COO]-	257.093171	181.2
[M+Na-2H]-	219.053986	148.4
[M]+	198.07877142	142.5
[M]-	198.07986858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe