CID 177799961

6-({[(tert-butoxy)carbonyl]amino}methyl)furo[2,3-d]pyrimidine-2-carboxylic acid

Structural Information

Molecular Formula
C13H15N3O5
SMILES
CC(C)(C)OC(=O)NCC1=CC2=CN=C(N=C2O1)C(=O)O
InChI
InChI=1S/C13H15N3O5/c1-13(2,3)21-12(19)15-6-8-4-7-5-14-9(11(17)18)16-10(7)20-8/h4-5H,6H2,1-3H3,(H,15,19)(H,17,18)
InChIKey
DFCBYGRTEXDECD-UHFFFAOYSA-N
Compound name
6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furo[2,3-d]pyrimidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10117 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.108446 165.1
[M+Na]+ 316.090388 173.6
[M-H]- 292.093894 167.4
[M+NH4]+ 311.134993 178.7
[M+K]+ 332.064328 173.1
[M+H-H2O]+ 276.098430 158.1
[M+HCOO]- 338.099371 184.2
[M+CH3COO]- 352.115021 199.9
[M+Na-2H]- 314.075836 171.1
[M]+ 293.10062142 171.0
[M]- 293.10171858 171.0
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.