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]+ 250.09346 155.3
[M+Na]+ 272.07540 166.2
[M-H]- 248.07890 151.8
[M+NH4]+ 267.12000 167.2
[M+K]+ 288.04934 161.5
[M+H-H2O]+ 232.08344 141.0
[M+HCOO]- 294.08438 169.5
[M+CH3COO]- 308.10003 200.9
[M+Na-2H]- 270.06085 157.7
[M]+ 249.08563 149.6
[M]- 249.08673 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.