CID 27007

Ethonam nitrate

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
1
Annotation Hits

0
References

559
Patents

270.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14412 163.3
[M+Na]+ 293.12606 170.0
[M-H]- 269.12956 167.7
[M+NH4]+ 288.17066 179.4
[M+K]+ 309.10000 166.1
[M+H-H2O]+ 253.13410 154.3
[M+HCOO]- 315.13504 181.6
[M+CH3COO]- 329.15069 174.3
[M+Na-2H]- 291.11151 165.8
[M]+ 270.13629 162.9
[M]- 270.13739 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