CID 688379

Refchem:398376

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

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

InChI

InChI=1S/C14H15N3O2/c15-12(8-13(16)18)14(19)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,15H2,(H2,16,18)(H,17,19)/t12-/m0/s1

InChIKey

LMENXDIQSZMBBL-LBPRGKRZSA-N

Compound name

(2S)-2-amino-N-naphthalen-2-ylbutanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.11642 Da
Monoisotopic Mass: 0.3
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	157.4
[M+Na]+	280.105638	162.1
[M-H]-	256.109144	160.6
[M+NH4]+	275.150243	173.4
[M+K]+	296.079578	159.2
[M+H-H2O]+	240.113680	150.1
[M+HCOO]-	302.114621	179.8
[M+CH3COO]-	316.130271	203.5
[M+Na-2H]-	278.091086	161.0
[M]+	257.11587142	153.6
[M]-	257.11696858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe