CID 27007

Ethonam

Structural Information

Molecular Formula
C16H18N2O2
SMILES
CCOC(=O)C1=CN=CN1C2CCCC3=CC=CC=C23
InChI
InChI=1S/C16H18N2O2/c1-2-20-16(19)15-10-17-11-18(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,10-11,14H,2,5,7,9H2,1H3
InChIKey
MOAUPJJXPRLKFN-UHFFFAOYSA-N
Compound name
ethyl 3-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

611
Patents

270.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.144116 163.3
[M+Na]+ 293.126058 170.0
[M-H]- 269.129564 167.7
[M+NH4]+ 288.170663 179.4
[M+K]+ 309.099998 166.1
[M+H-H2O]+ 253.134100 154.3
[M+HCOO]- 315.135041 181.6
[M+CH3COO]- 329.150691 174.3
[M+Na-2H]- 291.111506 165.8
[M]+ 270.13629142 162.9
[M]- 270.13738858 162.9
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