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
2
Annotation Hits

17
References

3872
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

literature stripe

Patent stripe

patents stripe