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]+ 294.10845 165.1
[M+Na]+ 316.09039 173.6
[M-H]- 292.09389 167.4
[M+NH4]+ 311.13499 178.7
[M+K]+ 332.06433 173.1
[M+H-H2O]+ 276.09843 158.1
[M+HCOO]- 338.09937 184.2
[M+CH3COO]- 352.11502 199.9
[M+Na-2H]- 314.07584 171.1
[M]+ 293.10062 171.0
[M]- 293.10172 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.