CID 3956225

3313-48-2

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)CNC(=O)CN

InChI

InChI=1S/C14H15N3O2/c15-8-13(18)16-9-14(19)17-12-6-5-10-3-1-2-4-11(10)7-12/h1-7H,8-9,15H2,(H,16,18)(H,17,19)

InChIKey

BJDWMUJHVVQXKQ-UHFFFAOYSA-N

Compound name

2-amino-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.11642 Da
Monoisotopic Mass: 0.8
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]+	258.12370	158.4
[M+Na]+	280.10564	168.0
[M+NH4]+	275.15024	165.4
[M+K]+	296.07958	162.3
[M-H]-	256.10914	161.5
[M+Na-2H]-	278.09109	163.9
[M]+	257.11587	160.2
[M]-	257.11697	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe