CID 723249

N-acetyl-3-naphth-2-yl-l-alanine

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

CC(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)O

InChI

InChI=1S/C15H15NO3/c1-10(17)16-14(15(18)19)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-8,14H,9H2,1H3,(H,16,17)(H,18,19)/t14-/m0/s1

InChIKey

HGTIILKZSFKZMS-AWEZNQCLSA-N

Compound name

(2S)-2-acetamido-3-naphthalen-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 257.1052 Da
Monoisotopic Mass: 2.4
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]+	258.112476	157.6
[M+Na]+	280.094418	163.0
[M-H]-	256.097924	160.4
[M+NH4]+	275.139023	174.1
[M+K]+	296.068358	160.1
[M+H-H2O]+	240.102460	150.9
[M+HCOO]-	302.103401	177.5
[M+CH3COO]-	316.119051	196.9
[M+Na-2H]-	278.079866	161.5
[M]+	257.10465142	157.1
[M]-	257.10574858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe