CID 478266

54322-77-9

Structural Information

Molecular Formula

C₁₅H₁₉N₃O

SMILES

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

InChI

InChI=1S/C15H19N3O/c16-9-3-6-14(17)15(19)18-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10,14H,3,6,9,16-17H2,(H,18,19)/t14-/m0/s1

InChIKey

GOWRWGKBZOPGCT-AWEZNQCLSA-N

Compound name

(2S)-2,5-diamino-N-naphthalen-2-ylpentanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 257.1528 Da
Monoisotopic Mass: 1.2
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]+	258.160076	159.3
[M+Na]+	280.142018	163.7
[M-H]-	256.145524	162.2
[M+NH4]+	275.186623	175.6
[M+K]+	296.115958	159.9
[M+H-H2O]+	240.150060	151.8
[M+HCOO]-	302.151001	182.0
[M+CH3COO]-	316.166651	204.2
[M+Na-2H]-	278.127466	163.6
[M]+	257.15225142	155.8
[M]-	257.15334858	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe