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]+ 213.02632 146.1
[M+Na]+ 235.00826 159.3
[M-H]- 211.01176 148.1
[M+NH4]+ 230.05286 161.7
[M+K]+ 250.98220 154.8
[M+H-H2O]+ 195.01630 133.6
[M+HCOO]- 257.01724 154.8
[M+CH3COO]- 271.03289 200.2
[M+Na-2H]- 232.99371 145.2
[M]+ 212.01849 142.4
[M]- 212.01959 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.