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]+ 282.06958 161.9
[M+Na]+ 304.05152 172.3
[M-H]- 280.05502 161.8
[M+NH4]+ 299.09612 178.8
[M+K]+ 320.02546 163.4
[M+H-H2O]+ 264.05956 155.2
[M+HCOO]- 326.06050 169.6
[M+CH3COO]- 340.07615 171.5
[M+Na-2H]- 302.03697 165.7
[M]+ 281.06175 157.0
[M]- 281.06285 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.