CID 135409125

Nsc658716

Structural Information

Molecular Formula
C15H12N4O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)N
InChI
InChI=1S/C15H12N4O/c16-14-17-13(20)15(19-18-14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8,19H,(H3,16,17,18,20)
InChIKey
FEQHEPXYLOHQPX-UHFFFAOYSA-N
Compound name
3-aminospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.1011 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10838 159.4
[M+Na]+ 287.09032 169.5
[M-H]- 263.09382 160.6
[M+NH4]+ 282.13492 176.3
[M+K]+ 303.06426 161.6
[M+H-H2O]+ 247.09836 150.7
[M+HCOO]- 309.09930 174.8
[M+CH3COO]- 323.11495 169.8
[M+Na-2H]- 285.07577 166.3
[M]+ 264.10055 153.9
[M]- 264.10165 153.9
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.