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: 6
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]+	258.123696	156.4
[M+Na]+	280.105638	161.4
[M-H]-	256.109144	160.1
[M+NH4]+	275.150243	172.8
[M+K]+	296.079578	158.2
[M+H-H2O]+	240.113680	148.9
[M+HCOO]-	302.114621	180.4
[M+CH3COO]-	316.130271	202.4
[M+Na-2H]-	278.091086	162.3
[M]+	257.11587142	154.1
[M]-	257.11696858	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe