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
2
Annotation Hits

4
References

226
Patents

198.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08660 143.1
[M+Na]+ 221.06854 151.0
[M-H]- 197.07204 147.1
[M+NH4]+ 216.11314 161.0
[M+K]+ 237.04248 147.3
[M+H-H2O]+ 181.07658 134.7
[M+HCOO]- 243.07752 166.0
[M+CH3COO]- 257.09317 181.2
[M+Na-2H]- 219.05399 148.4
[M]+ 198.07877 142.5
[M]- 198.07987 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe