CID 3001579

Nsc658715

Structural Information

Molecular Formula
C15H11N3OS
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=S)NN4
InChI
InChI=1S/C15H11N3OS/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
LUCFCNTWCKWTEW-UHFFFAOYSA-N
Compound name
3-sulfanylidenespiro[1,2,4-triazinane-6,9'-fluorene]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.0623 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.069576 161.9
[M+Na]+ 304.051518 172.3
[M-H]- 280.055024 161.8
[M+NH4]+ 299.096123 178.8
[M+K]+ 320.025458 163.4
[M+H-H2O]+ 264.059560 155.2
[M+HCOO]- 326.060501 169.6
[M+CH3COO]- 340.076151 171.5
[M+Na-2H]- 302.036966 165.7
[M]+ 281.06175142 157.0
[M]- 281.06284858 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.