CID 215814

36363-26-5

Structural Information

Molecular Formula
C15H18N2O2
SMILES
CCOC(=O)C1=CN=C(N1C(C)C2=CC=CC=C2)C
InChI
InChI=1S/C15H18N2O2/c1-4-19-15(18)14-10-16-12(3)17(14)11(2)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKey
QOKLIXWKTDWOHW-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-3-(1-phenylethyl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 160.2
[M+Na]+ 281.126058 167.8
[M-H]- 257.129564 164.6
[M+NH4]+ 276.170663 176.2
[M+K]+ 297.099998 165.1
[M+H-H2O]+ 241.134100 151.7
[M+HCOO]- 303.135041 181.1
[M+CH3COO]- 317.150691 196.8
[M+Na-2H]- 279.111506 161.4
[M]+ 258.13629142 163.1
[M]- 258.13738858 163.1
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

No patent data available for this compound.