CID 14581396

1-(piperazin-1-yl)phthalazine dihydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₄

SMILES

C1CN(CCN1)C2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C12H14N4/c1-2-4-11-10(3-1)9-14-15-12(11)16-7-5-13-6-8-16/h1-4,9,13H,5-8H2

InChIKey

DZWBPVWZCQJMGW-UHFFFAOYSA-N

Compound name

1-piperazin-1-ylphthalazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 105
Patents: 214.12184 Da
Monoisotopic Mass: 1.0
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]+	215.12912	149.9
[M+Na]+	237.11106	164.4
[M+NH4]+	232.15566	158.2
[M+K]+	253.08500	156.5
[M-H]-	213.11456	152.7
[M+Na-2H]-	235.09651	158.1
[M]+	214.12129	152.7
[M]-	214.12239	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe