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: 3811
Patents: 264.08987 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.097146	158.0
[M+Na]+	287.079088	167.2
[M-H]-	263.082594	161.1
[M+NH4]+	282.123693	174.6
[M+K]+	303.053028	161.4
[M+H-H2O]+	247.087130	148.5
[M+HCOO]-	309.088071	173.0
[M+CH3COO]-	323.103721	169.0
[M+Na-2H]-	285.064536	165.6
[M]+	264.08932142	155.9
[M]-	264.09041858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe