CID 3006266

Ethyl 2-(1-adamantyl)-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CCOC(=O)C1=CN=C(N1)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H22N2O2/c1-2-20-14(19)13-9-17-15(18-13)16-6-10-3-11(7-16)5-12(4-10)8-16/h9-12H,2-8H2,1H3,(H,17,18)
InChIKey
ATSQXTSCCTYFMZ-UHFFFAOYSA-N
Compound name
ethyl 2-(1-adamantyl)-1H-imidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 163.2
[M+Na]+ 297.157338 165.4
[M-H]- 273.160844 157.7
[M+NH4]+ 292.201943 184.6
[M+K]+ 313.131278 161.2
[M+H-H2O]+ 257.165380 155.1
[M+HCOO]- 319.166321 167.2
[M+CH3COO]- 333.181971 170.3
[M+Na-2H]- 295.142786 169.9
[M]+ 274.16757142 163.5
[M]- 274.16866858 163.5
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

No patent data available for this compound.