CID 3001566

Nsc658729

Structural Information

Molecular Formula
C17H10N4OS3
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N=C5N(N4)C(=S)NC(=S)S5
InChI
InChI=1S/C17H10N4OS3/c22-13-17(20-21-14(23)19-16(24)25-15(21)18-13)11-7-3-1-5-9(11)10-6-2-4-8-12(10)17/h1-8,20H,(H,19,23,24)
InChIKey
ILJUKLGZSMGNBL-UHFFFAOYSA-N
Compound name
2,4-bis(sulfanylidene)spiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.00168 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00896 175.2
[M+Na]+ 404.99090 187.6
[M-H]- 380.99440 174.3
[M+NH4]+ 400.03550 188.8
[M+K]+ 420.96484 177.1
[M+H-H2O]+ 364.99894 171.1
[M+HCOO]- 426.99988 171.6
[M+CH3COO]- 441.01553 183.0
[M+Na-2H]- 402.97635 179.4
[M]+ 382.00113 173.1
[M]- 382.00223 173.1
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.