CID 135445058

Tisopurine

Structural Information

Molecular Formula
C5H4N4S
SMILES
C1=NNC2=C1C(=S)N=CN2
InChI
InChI=1S/C5H4N4S/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
PYAOPMWCFSVFOT-UHFFFAOYSA-N
Compound name
1,7-dihydropyrazolo[3,4-d]pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

613
Patents

152.01567 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02295 126.7
[M+Na]+ 175.00489 140.3
[M+NH4]+ 170.04949 134.6
[M+K]+ 190.97883 134.2
[M-H]- 151.00839 126.3
[M+Na-2H]- 172.99034 132.5
[M]+ 152.01512 128.8
[M]- 152.01622 128.8
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

patents stripe