CID 312341

Phthalazine-1,4-diamine

Structural Information

Molecular Formula

C₈H₈N₄

SMILES

C1=CC=C2C(=C1)C(=NN=C2N)N

InChI

InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H,(H2,9,11)(H2,10,12)

InChIKey

AQKDJGAPGQAXIY-UHFFFAOYSA-N

Compound name

phthalazine-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 77
Patents: 160.07489 Da
Monoisotopic Mass: 0.9
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]+	161.08217	130.3
[M+Na]+	183.06411	143.7
[M+NH4]+	178.10871	139.0
[M+K]+	199.03805	137.5
[M-H]-	159.06761	133.5
[M+Na-2H]-	181.04956	138.0
[M]+	160.07434	133.0
[M]-	160.07544	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe