CID 5746201

Naprodoxime

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CC(/C(=N/O)/N)OC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C13H14N2O2/c1-9(13(14)15-16)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,16H,1H3,(H2,14,15)

InChIKey

KLWGWDOTUDKLKT-UHFFFAOYSA-N

Compound name

N'-hydroxy-2-naphthalen-1-yloxypropanimidamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 21
Patents: 230.10553 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]+	231.112806	150.0
[M+Na]+	253.094748	156.0
[M-H]-	229.098254	153.9
[M+NH4]+	248.139353	168.0
[M+K]+	269.068688	153.5
[M+H-H2O]+	213.102790	143.1
[M+HCOO]-	275.103731	173.2
[M+CH3COO]-	289.119381	195.6
[M+Na-2H]-	251.080196	156.0
[M]+	230.10498142	148.9
[M]-	230.10607858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe