CID 1201482

4,6-diamino-2-mercaptopyrimidine

Structural Information

Molecular Formula
C4H6N4S
SMILES
C1=C(NC(=S)N=C1N)N
InChI
InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9)
InChIKey
QCAWOHUJKPKOMD-UHFFFAOYSA-N
Compound name
4,6-diamino-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

2443
Patents

142.03131 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03859 124.8
[M+Na]+ 165.02053 134.8
[M-H]- 141.02403 124.4
[M+NH4]+ 160.06513 142.9
[M+K]+ 180.99447 129.9
[M+H-H2O]+ 125.02857 118.4
[M+HCOO]- 187.02951 142.4
[M+CH3COO]- 201.04516 172.9
[M+Na-2H]- 163.00598 128.9
[M]+ 142.03076 120.7
[M]- 142.03186 120.7
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