CID 132388058

Ethyl 4-methyl-2-(piperidin-4-yl)-1h-imidazole-5-carboxylate dihydrochloride

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CCOC(=O)C1=C(NC(=N1)C2CCNCC2)C
InChI
InChI=1S/C12H19N3O2/c1-3-17-12(16)10-8(2)14-11(15-10)9-4-6-13-7-5-9/h9,13H,3-7H2,1-2H3,(H,14,15)
InChIKey
JKXARTFMOKYVIB-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-2-piperidin-4-yl-1H-imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 157.2
[M+Na]+ 260.13694 166.4
[M+NH4]+ 255.18154 162.9
[M+K]+ 276.11088 163.7
[M-H]- 236.14044 156.9
[M+Na-2H]- 258.12239 160.3
[M]+ 237.14717 157.9
[M]- 237.14827 157.9
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.