CID 30717

Diftalone

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1C2=CC=CC=C2C(=O)N3N1C(=O)C4=CC=CC=C4C3
InChI
InChI=1S/C16H12N2O2/c19-15-13-7-3-1-5-11(13)9-17-16(20)14-8-4-2-6-12(14)10-18(15)17/h1-8H,9-10H2
InChIKey
CXSJGNHRBWJXEA-UHFFFAOYSA-N
Compound name
5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

3789
Patents

264.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 158.0
[M+Na]+ 287.07909 167.2
[M-H]- 263.08259 161.1
[M+NH4]+ 282.12369 174.6
[M+K]+ 303.05303 161.4
[M+H-H2O]+ 247.08713 148.5
[M+HCOO]- 309.08807 173.0
[M+CH3COO]- 323.10372 169.0
[M+Na-2H]- 285.06454 165.6
[M]+ 264.08932 155.9
[M]- 264.09042 155.9
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.