CID 4060966

24723-50-0

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₄

SMILES

COC1=CC(=CC2=CC=CC=C21)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C16H18N2O4/c1-22-14-9-11(8-10-4-2-3-5-12(10)14)18-15(19)7-6-13(17)16(20)21/h2-5,8-9,13H,6-7,17H2,1H3,(H,18,19)(H,20,21)

InChIKey

DUNDTSUHZJULAX-UHFFFAOYSA-N

Compound name

2-amino-5-[(4-methoxynaphthalen-2-yl)amino]-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 302.12665 Da
Monoisotopic Mass: -1.0
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]+	303.133926	168.8
[M+Na]+	325.115868	173.5
[M-H]-	301.119374	171.1
[M+NH4]+	320.160473	182.9
[M+K]+	341.089808	171.0
[M+H-H2O]+	285.123910	161.4
[M+HCOO]-	347.124851	188.9
[M+CH3COO]-	361.140501	208.2
[M+Na-2H]-	323.101316	170.9
[M]+	302.12610142	168.8
[M]-	302.12719858	168.8

Literature stripe

literature stripe

Patent stripe

patents stripe