CID 5279965

6-amino-1-(2-hydroxyethoxymethyl)thiopyrano[3,4-d]imidazole-4-thione

Structural Information

Molecular Formula
C9H11N3O2S2
SMILES
C1=C(SC(=S)C2=C1N(C=N2)COCCO)N
InChI
InChI=1S/C9H11N3O2S2/c10-7-3-6-8(9(15)16-7)11-4-12(6)5-14-2-1-13/h3-4,13H,1-2,5,10H2
InChIKey
SYDISXLIQQQIPR-UHFFFAOYSA-N
Compound name
6-amino-1-(2-hydroxyethoxymethyl)thiopyrano[3,4-d]imidazole-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.02927 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03655 149.3
[M+Na]+ 280.01849 161.2
[M-H]- 256.02199 150.4
[M+NH4]+ 275.06309 166.9
[M+K]+ 295.99243 155.1
[M+H-H2O]+ 240.02653 143.7
[M+HCOO]- 302.02747 162.2
[M+CH3COO]- 316.04312 161.5
[M+Na-2H]- 278.00394 151.3
[M]+ 257.02872 154.4
[M]- 257.02982 154.4
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.