CID 165918233

Methyl 1-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CC(C)(C)OC(=O)NCCN1C=C(N=C1)C(=O)OC
InChI
InChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)13-5-6-15-7-9(14-8-15)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,13,17)
InChIKey
XTENOYJVWBWASG-UHFFFAOYSA-N
Compound name
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13754 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 162.6
[M+Na]+ 292.12676 169.0
[M-H]- 268.13026 163.8
[M+NH4]+ 287.17136 178.1
[M+K]+ 308.10070 168.9
[M+H-H2O]+ 252.13480 155.2
[M+HCOO]- 314.13574 183.1
[M+CH3COO]- 328.15139 197.6
[M+Na-2H]- 290.11221 165.4
[M]+ 269.13699 167.2
[M]- 269.13809 167.2
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.