CID 3007971

Chembl294758

Structural Information

Molecular Formula
C10H14N4O4
SMILES
C1=CN(C2=NC=NC(=C21)NO)COC(CO)CO
InChI
InChI=1S/C10H14N4O4/c15-3-7(4-16)18-6-14-2-1-8-9(13-17)11-5-12-10(8)14/h1-2,5,7,15-17H,3-4,6H2,(H,11,12,13)
InChIKey
BUVHTAGNZLOWQX-UHFFFAOYSA-N
Compound name
2-[[4-(hydroxyamino)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1015 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 152.2
[M+Na]+ 277.09072 160.3
[M-H]- 253.09422 149.6
[M+NH4]+ 272.13532 165.7
[M+K]+ 293.06466 157.2
[M+H-H2O]+ 237.09876 144.3
[M+HCOO]- 299.09970 170.9
[M+CH3COO]- 313.11535 189.0
[M+Na-2H]- 275.07617 158.3
[M]+ 254.10095 154.6
[M]- 254.10205 154.6
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.