CID 135440536

4-(4-hydroxyphenyl)-1-naphthaldehyde oxime

Structural Information

Molecular Formula

C₁₇H₁₃NO₂

SMILES

C1=CC=C2C(=C1)C(=CC=C2C3=CC=C(C=C3)O)/C=N/O

InChI

InChI=1S/C17H13NO2/c19-14-8-5-12(6-9-14)16-10-7-13(11-18-20)15-3-1-2-4-17(15)16/h1-11,19-20H/b18-11+

InChIKey

VYQQTWUZKPWPRL-WOJGMQOQSA-N

Compound name

4-[4-[(E)-hydroxyiminomethyl]naphthalen-1-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 263.09464 Da
Monoisotopic Mass: 4.2
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]+	264.101916	157.8
[M+Na]+	286.083858	166.3
[M-H]-	262.087364	164.6
[M+NH4]+	281.128463	174.6
[M+K]+	302.057798	160.7
[M+H-H2O]+	246.091900	150.1
[M+HCOO]-	308.092841	181.1
[M+CH3COO]-	322.108491	170.1
[M+Na-2H]-	284.069306	165.4
[M]+	263.09409142	157.4
[M]-	263.09518858	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe