CID 135480602

Chembl141148

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C[C@@H]1[C@@H](O[C@@H](O1)CO)N2C=CC3=C2N=C(NC3=O)N
InChI
InChI=1S/C11H14N4O4/c1-5-10(19-7(4-16)18-5)15-3-2-6-8(15)13-11(12)14-9(6)17/h2-3,5,7,10,16H,4H2,1H3,(H3,12,13,14,17)/t5-,7-,10-/m1/s1
InChIKey
GRVNAGSPJLQAPY-VISXPRAWSA-N
Compound name
2-amino-7-[(2R,4R,5R)-2-(hydroxymethyl)-5-methyl-1,3-dioxolan-4-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1015 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.108776 157.9
[M+Na]+ 289.090718 168.7
[M-H]- 265.094224 161.7
[M+NH4]+ 284.135323 171.1
[M+K]+ 305.064658 166.4
[M+H-H2O]+ 249.098760 151.0
[M+HCOO]- 311.099701 175.6
[M+CH3COO]- 325.115351 169.8
[M+Na-2H]- 287.076166 160.0
[M]+ 266.10095142 159.5
[M]- 266.10204858 159.5
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.