CID 1616

3,5-diaminophthalhydrazide

Structural Information

Molecular Formula

C₈H₈N₄O₂

SMILES

C1=C(C=C(C2=C1C(=O)NNC2=O)N)N

InChI

InChI=1S/C8H8N4O2/c9-3-1-4-6(5(10)2-3)8(14)12-11-7(4)13/h1-2H,9-10H2,(H,11,13)(H,12,14)

InChIKey

BAOICLZZDLLDRL-UHFFFAOYSA-N

Compound name

5,7-diamino-2,3-dihydrophthalazine-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 22
Patents: 192.06473 Da
Monoisotopic Mass: -0.4
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]+	193.07201	138.2
[M+Na]+	215.05395	149.3
[M-H]-	191.05745	138.0
[M+NH4]+	210.09855	154.4
[M+K]+	231.02789	143.8
[M+H-H2O]+	175.06199	131.6
[M+HCOO]-	237.06293	158.9
[M+CH3COO]-	251.07858	182.9
[M+Na-2H]-	213.03940	145.1
[M]+	192.06418	133.7
[M]-	192.06528	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe