CID 353156

3-methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione

Structural Information

Molecular Formula
C10H7N3S3
SMILES
CN1C(=S)N2C3=CC=CC=C3N=C2SC1=S
InChI
InChI=1S/C10H7N3S3/c1-12-9(14)13-7-5-3-2-4-6(7)11-8(13)16-10(12)15/h2-5H,1H3
InChIKey
WHOZVZKPJLUZNU-UHFFFAOYSA-N
Compound name
3-methyl-[1,3,5]thiadiazino[3,2-a]benzimidazole-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.98022 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.98750 148.9
[M+Na]+ 287.96944 165.3
[M-H]- 263.97294 151.6
[M+NH4]+ 283.01404 167.6
[M+K]+ 303.94338 156.8
[M+H-H2O]+ 247.97748 144.8
[M+HCOO]- 309.97842 155.8
[M+CH3COO]- 323.99407 161.9
[M+Na-2H]- 285.95489 151.9
[M]+ 264.97967 154.1
[M]- 264.98077 154.1
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

No patent data available for this compound.