CID 3046918

Morpholine, 4-(2-((1-(4-methylphenyl)-4-phenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Structural Information

Molecular Formula

C₂₂H₂₅N₃O₂

SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)OCCN3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c1-18-7-9-20(10-8-18)25-17-21(19-5-3-2-4-6-19)22(23-25)27-16-13-24-11-14-26-15-12-24/h2-10,17H,11-16H2,1H3

InChIKey

RYOVMVCMJQLOCZ-UHFFFAOYSA-N

Compound name

4-[2-[1-(4-methylphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.19467 Da
Monoisotopic Mass: 3.9
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]+	364.201946	188.8
[M+Na]+	386.183888	193.9
[M-H]-	362.187394	197.2
[M+NH4]+	381.228493	196.5
[M+K]+	402.157828	189.1
[M+H-H2O]+	346.191930	176.2
[M+HCOO]-	408.192871	204.7
[M+CH3COO]-	422.208521	197.4
[M+Na-2H]-	384.169336	189.3
[M]+	363.19412142	187.5
[M]-	363.19521858	187.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.