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]+ 267.10878 157.9
[M+Na]+ 289.09072 168.7
[M-H]- 265.09422 161.7
[M+NH4]+ 284.13532 171.1
[M+K]+ 305.06466 166.4
[M+H-H2O]+ 249.09876 151.0
[M+HCOO]- 311.09970 175.6
[M+CH3COO]- 325.11535 169.8
[M+Na-2H]- 287.07617 160.0
[M]+ 266.10095 159.5
[M]- 266.10205 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.