CID 135409409

Forodesine

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1=C(C2=C(N1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O
InChI
InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
InChIKey
IWKXDMQDITUYRK-KUBHLMPHSA-N
Compound name
7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

118
References

3307
Patents

266.1015 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 159.2
[M+Na]+ 289.09072 168.6
[M-H]- 265.09422 155.7
[M+NH4]+ 284.13532 171.2
[M+K]+ 305.06466 162.0
[M+H-H2O]+ 249.09876 152.4
[M+HCOO]- 311.09970 171.0
[M+CH3COO]- 325.11535 168.2
[M+Na-2H]- 287.07617 159.0
[M]+ 266.10095 154.6
[M]- 266.10205 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.