CID 201384

5882-42-8

Structural Information

Molecular Formula

C₁₈H₂₁NO₃

SMILES

C1COCCN1CCC(C2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H21NO3/c20-18(21)17(8-9-19-10-12-22-13-11-19)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,17H,8-13H2,(H,20,21)

InChIKey

UTABDFDVDKFXRY-UHFFFAOYSA-N

Compound name

4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 299.15213 Da
Monoisotopic Mass: 0.4
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]+	300.159406	170.3
[M+Na]+	322.141348	173.5
[M-H]-	298.144854	174.2
[M+NH4]+	317.185953	182.0
[M+K]+	338.115288	170.6
[M+H-H2O]+	282.149390	161.2
[M+HCOO]-	344.150331	183.7
[M+CH3COO]-	358.165981	201.2
[M+Na-2H]-	320.126796	173.6
[M]+	299.15158142	167.1
[M]-	299.15267858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe