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 164.6
[M+Na]+ 320.07879 175.5
[M-H]- 296.08229 165.4
[M+NH4]+ 315.12339 176.9
[M+K]+ 336.05273 170.9
[M+H-H2O]+ 280.08683 158.4
[M+HCOO]- 342.08777 175.8
[M+CH3COO]- 356.10342 174.9
[M+Na-2H]- 318.06424 163.4
[M]+ 297.08902 166.3
[M]- 297.09012 166.3
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.