CID 2813863

Maybridge3_002474

Structural Information

Molecular Formula

C₁₆H₂₀N₄O₂

SMILES

C1COCCN1CCNC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H20N4O2/c21-16(17-7-9-19-10-12-22-13-11-19)14-2-4-15(5-3-14)20-8-1-6-18-20/h1-6,8H,7,9-13H2,(H,17,21)

InChIKey

GQNPMWVGBIIAJN-UHFFFAOYSA-N

Compound name

N-(2-morpholin-4-ylethyl)-4-pyrazol-1-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 300.15863 Da
Monoisotopic Mass: 0.8
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]+	301.165906	170.0
[M+Na]+	323.147848	173.8
[M-H]-	299.151354	175.3
[M+NH4]+	318.192453	180.0
[M+K]+	339.121788	170.9
[M+H-H2O]+	283.155890	158.8
[M+HCOO]-	345.156831	187.2
[M+CH3COO]-	359.172481	179.1
[M+Na-2H]-	321.133296	172.8
[M]+	300.15808142	166.8
[M]-	300.15917858	166.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.