CID 457446

Chembl77449

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)NCC(=O)NN

InChI

InChI=1S/C13H15N3O2/c1-18-12-5-3-9-6-11(4-2-10(9)7-12)15-8-13(17)16-14/h2-7,15H,8,14H2,1H3,(H,16,17)

InChIKey

ZOZNVOTULWXEEY-UHFFFAOYSA-N

Compound name

2-[(6-methoxynaphthalen-2-yl)amino]acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 245.11642 Da
Monoisotopic Mass: 2.3
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]+	246.123696	152.3
[M+Na]+	268.105638	158.6
[M-H]-	244.109144	156.4
[M+NH4]+	263.150243	169.6
[M+K]+	284.079578	155.7
[M+H-H2O]+	228.113680	145.0
[M+HCOO]-	290.114621	177.5
[M+CH3COO]-	304.130271	201.2
[M+Na-2H]-	266.091086	159.2
[M]+	245.11587142	151.5
[M]-	245.11696858	151.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.