CID 375004

Nsc653830

Structural Information

Molecular Formula

C₂₀H₁₇N₃O₂

SMILES

C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C20H17N3O2/c21-13-17(22-23-19(25)12-14-6-2-1-3-7-14)20-16-9-5-4-8-15(16)10-11-18(20)24/h1-11,17,22,24H,12H2,(H,23,25)

InChIKey

YYJNDSBCWFLUBU-UHFFFAOYSA-N

Compound name

N'-[cyano-(2-hydroxynaphthalen-1-yl)methyl]-2-phenylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.13208 Da
Monoisotopic Mass: 3.8
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]+	332.139356	186.5
[M+Na]+	354.121298	193.7
[M-H]-	330.124804	190.3
[M+NH4]+	349.165903	197.6
[M+K]+	370.095238	186.1
[M+H-H2O]+	314.129340	171.6
[M+HCOO]-	376.130281	203.6
[M+CH3COO]-	390.145931	222.2
[M+Na-2H]-	352.106746	189.6
[M]+	331.13153142	179.2
[M]-	331.13262858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.