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]+ 257.12848 159.6
[M+Na]+ 279.11042 166.5
[M-H]- 255.11392 163.5
[M+NH4]+ 274.15502 175.2
[M+K]+ 295.08436 163.2
[M+H-H2O]+ 239.11846 150.8
[M+HCOO]- 301.11940 180.6
[M+CH3COO]- 315.13505 194.8
[M+Na-2H]- 277.09587 161.4
[M]+ 256.12065 161.3
[M]- 256.12175 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