CID 135446206

69205-79-4

Structural Information

Molecular Formula
C7H5N5O
SMILES
C1=C(C2=C(N1)N=C(NC2=O)N)C#N
InChI
InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChIKey
FMKSMYDYKXQYRV-UHFFFAOYSA-N
Compound name
2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1694
Patents

175.04941 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05669 138.0
[M+Na]+ 198.03863 149.5
[M+NH4]+ 193.08323 141.0
[M+K]+ 214.01257 143.3
[M-H]- 174.04213 130.3
[M+Na-2H]- 196.02408 140.1
[M]+ 175.04886 136.3
[M]- 175.04996 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe