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]+ 194.06725 137.4
[M+Na]+ 216.04919 148.4
[M-H]- 192.05269 136.2
[M+NH4]+ 211.09379 153.7
[M+K]+ 232.02313 143.6
[M+H-H2O]+ 176.05723 130.4
[M+HCOO]- 238.05817 158.4
[M+CH3COO]- 252.07382 182.0
[M+Na-2H]- 214.03464 142.9
[M]+ 193.05942 134.2
[M]- 193.06052 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

patents stripe