CID 471826

49808-20-0

Structural Information

Molecular Formula
C10H6N8S2
SMILES
C1=NC2=C(N1)C(=NC=N2)SSC3=NC=NC4=C3NC=N4
InChI
InChI=1S/C10H6N8S2/c1-11-5-7(13-1)15-3-17-9(5)19-20-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)
InChIKey
ULNKLXSTZWVSJH-UHFFFAOYSA-N
Compound name
6-(7H-purin-6-yldisulfanyl)-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

302.0157 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02298 157.4
[M+Na]+ 325.00492 173.1
[M+NH4]+ 320.04952 164.1
[M+K]+ 340.97886 166.7
[M-H]- 301.00842 158.0
[M+Na-2H]- 322.99037 163.8
[M]+ 302.01515 160.7
[M]- 302.01625 160.7
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