CID 22887

6389-70-4

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

CCN(CC)CCC(C1=CC=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C18H23NO2/c1-3-19(4-2)13-12-17(18(20)21)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,3-4,12-13H2,1-2H3,(H,20,21)

InChIKey

DDSQDSVUNREKOJ-UHFFFAOYSA-N

Compound name

4-(diethylamino)-2-naphthalen-1-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.17288 Da
Monoisotopic Mass: 1.5
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]+	286.180156	169.7
[M+Na]+	308.162098	173.9
[M-H]-	284.165604	173.2
[M+NH4]+	303.206703	185.8
[M+K]+	324.136038	171.1
[M+H-H2O]+	268.170140	162.2
[M+HCOO]-	330.171081	189.6
[M+CH3COO]-	344.186731	207.6
[M+Na-2H]-	306.147546	172.2
[M]+	285.17233142	171.4
[M]-	285.17342858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe