CID 70976

6-methylthioguanine

Structural Information

Molecular Formula
C6H7N5S
SMILES
CSC1=NC(=NC2=C1NC=N2)N
InChI
InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)
InChIKey
YEGKYFQLKYGHAR-UHFFFAOYSA-N
Compound name
6-methylsulfanyl-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

341
Patents

181.04222 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04950 134.2
[M+Na]+ 204.03144 146.8
[M+NH4]+ 199.07604 141.8
[M+K]+ 220.00538 141.3
[M-H]- 180.03494 134.6
[M+Na-2H]- 202.01689 139.5
[M]+ 181.04167 136.3
[M]- 181.04277 136.3
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

patents stripe