CID 360519

Nsc622654

Structural Information

Molecular Formula
C7H12N3S4
SMILES
CN(C1=NC(=[N+](C)C)SS1)C(=S)SC
InChI
InChI=1S/C7H12N3S4/c1-9(2)5-8-6(14-13-5)10(3)7(11)12-4/h1-4H3/q+1
InChIKey
CORFYYMKJFCIBG-UHFFFAOYSA-N
Compound name
dimethyl-[5-[methyl(methylsulfanylcarbothioyl)amino]-1,2,4-dithiazol-3-ylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9914 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99868 149.4
[M+Na]+ 288.98062 157.1
[M-H]- 264.98412 152.7
[M+NH4]+ 284.02522 166.3
[M+K]+ 304.95456 145.6
[M+H-H2O]+ 248.98866 144.9
[M+HCOO]- 310.98960 151.4
[M+CH3COO]- 325.00525 196.4
[M+Na-2H]- 286.96607 150.1
[M]+ 265.99085 146.9
[M]- 265.99195 146.9
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.