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]+ 266.09238 160.8
[M+Na]+ 288.07432 170.4
[M-H]- 264.07782 160.8
[M+NH4]+ 283.11892 177.3
[M+K]+ 304.04826 162.3
[M+H-H2O]+ 248.08236 152.4
[M+HCOO]- 310.08330 173.1
[M+CH3COO]- 324.09895 170.5
[M+Na-2H]- 286.05977 166.4
[M]+ 265.08455 154.3
[M]- 265.08565 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.