CID 136230137

124738-80-3

Structural Information

Molecular Formula
C7H7N5O2
SMILES
C1=C(C2=C(N1)N=C(NC2=O)N)C(=O)N
InChI
InChI=1S/C7H7N5O2/c8-4(13)2-1-10-5-3(2)6(14)12-7(9)11-5/h1H,(H2,8,13)(H4,9,10,11,12,14)
InChIKey
PDNNVMBNUWELRE-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

193.05997 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.067246 137.4
[M+Na]+ 216.049188 148.4
[M-H]- 192.052694 136.2
[M+NH4]+ 211.093793 153.7
[M+K]+ 232.023128 143.6
[M+H-H2O]+ 176.057230 130.4
[M+HCOO]- 238.058171 158.4
[M+CH3COO]- 252.073821 182.0
[M+Na-2H]- 214.034636 142.9
[M]+ 193.05942142 134.2
[M]- 193.06051858 134.2
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.