CID 9554798

Glyoxal dithiosemicarbazone

Structural Information

Molecular Formula
C4H8N6S2
SMILES
C(=N/NC(=S)N)\C=N\NC(=S)N
InChI
InChI=1S/C4H8N6S2/c5-3(11)9-7-1-2-8-10-4(6)12/h1-2H,(H3,5,9,11)(H3,6,10,12)/b7-1+,8-2+
InChIKey
BZKLDUBXTMDNMW-FACPPWRESA-N
Compound name
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

204.02519 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.03247 138.0
[M+Na]+ 227.01441 142.0
[M-H]- 203.01791 138.9
[M+NH4]+ 222.05901 155.4
[M+K]+ 242.98835 137.9
[M+H-H2O]+ 187.02245 129.3
[M+HCOO]- 249.02339 155.7
[M+CH3COO]- 263.03904 199.1
[M+Na-2H]- 224.99986 139.7
[M]+ 204.02464 133.1
[M]- 204.02574 133.1
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

patents stripe