CID 201873

7036-57-9

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCC=C
InChI
InChI=1S/C15H16N2O2/c1-3-9-19-15(18)14-10-16-11-17(14)12(2)13-7-5-4-6-8-13/h3-8,10-12H,1,9H2,2H3
InChIKey
WPXGUMDWVWTNJA-UHFFFAOYSA-N
Compound name
prop-2-enyl 3-(1-phenylethyl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.128476 159.6
[M+Na]+ 279.110418 166.5
[M-H]- 255.113924 163.5
[M+NH4]+ 274.155023 175.2
[M+K]+ 295.084358 163.2
[M+H-H2O]+ 239.118460 150.8
[M+HCOO]- 301.119401 180.6
[M+CH3COO]- 315.135051 194.8
[M+Na-2H]- 277.095866 161.4
[M]+ 256.12065142 161.3
[M]- 256.12174858 161.3
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

patents stripe