CID 2811743

Maybridge3_002211

Structural Information

Molecular Formula

C₁₇H₁₉ClN₂O₃

SMILES

CC1=CC(=C(O1)C)C(=O)NC2=CC(=C(C=C2)N3CCOCC3)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-11-9-14(12(2)23-11)17(21)19-13-3-4-16(15(18)10-13)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)

InChIKey

GYGZOFRWARSBHX-UHFFFAOYSA-N

Compound name

N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 334.10843 Da
Monoisotopic Mass: 3.0
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]+	335.115706	180.7
[M+Na]+	357.097648	187.7
[M-H]-	333.101154	190.2
[M+NH4]+	352.142253	192.6
[M+K]+	373.071588	184.8
[M+H-H2O]+	317.105690	172.6
[M+HCOO]-	379.106631	194.7
[M+CH3COO]-	393.122281	209.7
[M+Na-2H]-	355.083096	180.8
[M]+	334.10788142	182.4
[M]-	334.10897858	182.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.