CID 457445

Chembl419837

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

CC(C(=O)NN)NC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C13H15N3O/c1-9(13(17)16-14)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9,15H,14H2,1H3,(H,16,17)

InChIKey

VZGYCWCBDPDMNT-UHFFFAOYSA-N

Compound name

2-(naphthalen-2-ylamino)propanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 229.1215 Da
Monoisotopic Mass: 2.7
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]+	230.128776	149.9
[M+Na]+	252.110718	155.1
[M-H]-	228.114224	153.7
[M+NH4]+	247.155323	167.6
[M+K]+	268.084658	152.1
[M+H-H2O]+	212.118760	142.8
[M+HCOO]-	274.119701	173.9
[M+CH3COO]-	288.135351	198.7
[M+Na-2H]-	250.096166	156.3
[M]+	229.12095142	146.7
[M]-	229.12204858	146.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.