CID 11779374

5'-methylthioformycin

Structural Information

Molecular Formula
C11H15N5O3S
SMILES
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)C2=C3C(=NN2)C(=NC=N3)N)O)O
InChI
InChI=1S/C11H15N5O3S/c1-20-2-4-8(17)9(18)10(19-4)6-5-7(16-15-6)11(12)14-3-13-5/h3-4,8-10,17-18H,2H2,1H3,(H,15,16)(H2,12,13,14)/t4-,8-,9-,10+/m1/s1
InChIKey
MKHSXTZLSSHHQZ-LFAOKBQASA-N
Compound name
(2S,3R,4S,5S)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

297.08957 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09685 166.1
[M+Na]+ 320.07879 175.9
[M+NH4]+ 315.12339 171.2
[M+K]+ 336.05273 174.8
[M-H]- 296.08229 167.1
[M+Na-2H]- 318.06424 167.1
[M]+ 297.08902 167.8
[M]- 297.09012 167.8
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.