CID 3003867

16111-47-0

Structural Information

Molecular Formula
C12H10N4O2S2
SMILES
C1=COC(=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=CO4
InChI
InChI=1S/C12H10N4O2S2/c19-11-13-9(7-3-1-5-17-7)15-12(20)14-10(16(11)15)8-4-2-6-18-8/h1-6,9-10H,(H,13,19)(H,14,20)
InChIKey
MVQUTNOUSMMRAW-UHFFFAOYSA-N
Compound name
1,5-bis(furan-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

306.0245 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03178 165.7
[M+Na]+ 329.01372 179.6
[M-H]- 305.01722 173.5
[M+NH4]+ 324.05832 181.9
[M+K]+ 344.98766 177.0
[M+H-H2O]+ 289.02176 164.1
[M+HCOO]- 351.02270 175.3
[M+CH3COO]- 365.03835 178.1
[M+Na-2H]- 326.99917 158.7
[M]+ 306.02395 169.0
[M]- 306.02505 169.0
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.