CID 135445345

7-cn-9-(2,3-diohpr)g

Structural Information

Molecular Formula
C10H11N5O3
SMILES
C1=C(C2=C(N1CC(CO)O)N=C(NC2=O)N)C#N
InChI
InChI=1S/C10H11N5O3/c11-1-5-2-15(3-6(17)4-16)8-7(5)9(18)14-10(12)13-8/h2,6,16-17H,3-4H2,(H3,12,13,14,18)
InChIKey
KOBFLDRYMGCXCT-UHFFFAOYSA-N
Compound name
2-amino-7-(2,3-dihydroxypropyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.08618 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.093456 155.3
[M+Na]+ 272.075398 166.2
[M-H]- 248.078904 151.8
[M+NH4]+ 267.120003 167.2
[M+K]+ 288.049338 161.5
[M+H-H2O]+ 232.083440 141.0
[M+HCOO]- 294.084381 169.5
[M+CH3COO]- 308.100031 200.9
[M+Na-2H]- 270.060846 157.7
[M]+ 249.08563142 149.6
[M]- 249.08672858 149.6
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

No patent data available for this compound.