CID 6410587

Hl 2187

Structural Information

Molecular Formula

C₂₀H₂₃N₃O

SMILES

CN(C)CCCOC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O/c1-23(2)13-8-14-24-20-18-12-7-6-11-17(18)19(21-22-20)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3

InChIKey

PTNYCEQLUWCYAR-UHFFFAOYSA-N

Compound name

3-(4-benzylphthalazin-1-yl)oxy-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 321.1841 Da
Monoisotopic Mass: 3.8
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]+	322.191376	178.9
[M+Na]+	344.173318	185.1
[M-H]-	320.176824	184.2
[M+NH4]+	339.217923	191.3
[M+K]+	360.147258	180.4
[M+H-H2O]+	304.181360	167.7
[M+HCOO]-	366.182301	199.8
[M+CH3COO]-	380.197951	215.3
[M+Na-2H]-	342.158766	185.2
[M]+	321.18355142	182.2
[M]-	321.18464858	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe