CID 3007767

8-(thiazol-4-yl)-9h-purin-6-amine

Structural Information

Molecular Formula
C8H6N6S
SMILES
C1=C(N=CS1)C2=NC3=NC=NC(=C3N2)N
InChI
InChI=1S/C8H6N6S/c9-6-5-8(11-2-10-6)14-7(13-5)4-1-15-3-12-4/h1-3H,(H3,9,10,11,13,14)
InChIKey
WIUSWBSDLSUCNF-UHFFFAOYSA-N
Compound name
8-(1,3-thiazol-4-yl)-7H-purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.03746 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04474 141.5
[M+Na]+ 241.02668 155.2
[M-H]- 217.03018 143.5
[M+NH4]+ 236.07128 158.1
[M+K]+ 257.00062 149.8
[M+H-H2O]+ 201.03472 134.0
[M+HCOO]- 263.03566 158.7
[M+CH3COO]- 277.05131 154.5
[M+Na-2H]- 239.01213 145.6
[M]+ 218.03691 143.3
[M]- 218.03801 143.3
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.