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]+ 275.17540 163.2
[M+Na]+ 297.15734 165.4
[M-H]- 273.16084 157.7
[M+NH4]+ 292.20194 184.6
[M+K]+ 313.13128 161.2
[M+H-H2O]+ 257.16538 155.1
[M+HCOO]- 319.16632 167.2
[M+CH3COO]- 333.18197 170.3
[M+Na-2H]- 295.14279 169.9
[M]+ 274.16757 163.5
[M]- 274.16867 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.