CID 138008006

2241139-79-5

Structural Information

Molecular Formula
C7H8N4S2
SMILES
CN1C(=C(C(=S)N(C1=S)C)C#N)N
InChI
InChI=1S/C7H8N4S2/c1-10-5(9)4(3-8)6(12)11(2)7(10)13/h9H2,1-2H3
InChIKey
YODZHRVZRPDZIK-UHFFFAOYSA-N
Compound name
4-amino-1,3-dimethyl-2,6-bis(sulfanylidene)pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.01904 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.026316 146.1
[M+Na]+ 235.008258 159.3
[M-H]- 211.011764 148.1
[M+NH4]+ 230.052863 161.7
[M+K]+ 250.982198 154.8
[M+H-H2O]+ 195.016300 133.6
[M+HCOO]- 257.017241 154.8
[M+CH3COO]- 271.032891 200.2
[M+Na-2H]- 232.993706 145.2
[M]+ 212.01849142 142.4
[M]- 212.01958858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.