CID 377320

Nsc658720

Structural Information

Molecular Formula
C15H11N3O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=O)NN4
InChI
InChI=1S/C15H11N3O2/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
PTOJVSYVJLPGNS-UHFFFAOYSA-N
Compound name
spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0851 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.092376 160.8
[M+Na]+ 288.074318 170.4
[M-H]- 264.077824 160.8
[M+NH4]+ 283.118923 177.3
[M+K]+ 304.048258 162.3
[M+H-H2O]+ 248.082360 152.4
[M+HCOO]- 310.083301 173.1
[M+CH3COO]- 324.098951 170.5
[M+Na-2H]- 286.059766 166.4
[M]+ 265.08455142 154.3
[M]- 265.08564858 154.3
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.