CID 3001581

Nsc658717

Structural Information

Molecular Formula
C15H11N3S2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=S)NC(=S)NN4
InChI
InChI=1S/C15H11N3S2/c19-13-15(18-17-14(20)16-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8,18H,(H2,16,17,19,20)
InChIKey
BADBNPXFLFYHRK-UHFFFAOYSA-N
Compound name
spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

297.03943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.04671 160.4
[M+Na]+ 320.02865 171.5
[M-H]- 296.03215 159.8
[M+NH4]+ 315.07325 177.2
[M+K]+ 336.00259 161.5
[M+H-H2O]+ 280.03669 155.3
[M+HCOO]- 342.03763 163.1
[M+CH3COO]- 356.05328 169.7
[M+Na-2H]- 318.01410 163.3
[M]+ 297.03888 155.9
[M]- 297.03998 155.9
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.