CID 44247568

E-52862

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₂

SMILES

CC1=CC(=NN1C2=CC3=CC=CC=C3C=C2)OCCN4CCOCC4

InChI

InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3

InChIKey

DGPGXHRHNRYVDH-UHFFFAOYSA-N

Compound name

4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 61
References: 644
Patents: 337.17902 Da
Monoisotopic Mass: 3.5
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]+	338.18630	181.0
[M+Na]+	360.16824	188.2
[M-H]-	336.17174	187.8
[M+NH4]+	355.21284	191.4
[M+K]+	376.14218	183.5
[M+H-H2O]+	320.17628	169.5
[M+HCOO]-	382.17722	197.6
[M+CH3COO]-	396.19287	190.7
[M+Na-2H]-	358.15369	184.1
[M]+	337.17847	182.0
[M]-	337.17957	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe