CID 3003868

Nsc174933

Structural Information

Molecular Formula
C12H10N4S4
SMILES
C1=CSC(=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=CS4
InChI
InChI=1S/C12H10N4S4/c17-11-13-9(7-3-1-5-19-7)15-12(18)14-10(16(11)15)8-4-2-6-20-8/h1-6,9-10H,(H,13,17)(H,14,18)
InChIKey
AWTFAGLPIQFRLQ-UHFFFAOYSA-N
Compound name
1,5-dithiophen-2-yl-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.97882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98610 171.6
[M+Na]+ 360.96804 187.5
[M-H]- 336.97154 176.9
[M+NH4]+ 356.01264 189.4
[M+K]+ 376.94198 180.2
[M+H-H2O]+ 320.97608 171.8
[M+HCOO]- 382.97702 172.6
[M+CH3COO]- 396.99267 182.4
[M+Na-2H]- 358.95349 164.4
[M]+ 337.97827 171.3
[M]- 337.97937 171.3
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.