CID 135449281

Formycin b

Structural Information

Molecular Formula
C10H12N4O5
SMILES
C1=NC2=C(NN=C2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
InChIKey
MTCJZZBQNCXKAP-KSYZLYKTSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

92
References

652
Patents

268.08078 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 156.9
[M+Na]+ 291.07000 167.2
[M-H]- 267.07350 155.5
[M+NH4]+ 286.11460 168.2
[M+K]+ 307.04394 162.9
[M+H-H2O]+ 251.07804 150.1
[M+HCOO]- 313.07898 169.8
[M+CH3COO]- 327.09463 167.0
[M+Na-2H]- 289.05545 158.1
[M]+ 268.08023 155.8
[M]- 268.08133 155.8
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.