CID 9556526

Gtsm & copper

Structural Information

Molecular Formula
C6H12N6S2
SMILES
CNC(=S)N/N=C/C=N/NC(=S)NC
InChI
InChI=1S/C6H12N6S2/c1-7-5(13)11-9-3-4-10-12-6(14)8-2/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14)/b9-3+,10-4+
InChIKey
OQAXPRMBCFLULK-LQIBPGRFSA-N
Compound name
1-methyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

232.05649 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06377 147.4
[M+Na]+ 255.04571 150.7
[M-H]- 231.04921 149.1
[M+NH4]+ 250.09031 164.5
[M+K]+ 271.01965 146.8
[M+H-H2O]+ 215.05375 138.4
[M+HCOO]- 277.05469 165.7
[M+CH3COO]- 291.07034 204.8
[M+Na-2H]- 253.03116 150.1
[M]+ 232.05594 145.0
[M]- 232.05704 145.0
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.