CID 135446206

2-amino-4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

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
2
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 136.9
[M+Na]+ 198.03863 149.5
[M-H]- 174.04213 134.6
[M+NH4]+ 193.08323 152.2
[M+K]+ 214.01257 144.1
[M+H-H2O]+ 158.04667 122.7
[M+HCOO]- 220.04761 153.9
[M+CH3COO]- 234.06326 147.7
[M+Na-2H]- 196.02408 142.7
[M]+ 175.04886 129.6
[M]- 175.04996 129.6
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