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

3083
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 159.6
[M+Na]+ 289.09072 168.7
[M+NH4]+ 284.13532 163.2
[M+K]+ 305.06466 170.3
[M-H]- 265.09422 156.7
[M+Na-2H]- 287.07617 160.1
[M]+ 266.10095 159.4
[M]- 266.10205 159.4
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

patents stripe