CID 3055484

Brn 3060138

Structural Information

Molecular Formula

C₁₆H₁₇NO₃

SMILES

COC1=CC=C(C=C1)C=NCC(C2=CC(=CC=C2)O)O

InChI

InChI=1S/C16H17NO3/c1-20-15-7-5-12(6-8-15)10-17-11-16(19)13-3-2-4-14(18)9-13/h2-10,16,18-19H,11H2,1H3

InChIKey

KCVHTBXGCUHZDQ-UHFFFAOYSA-N

Compound name

3-[1-hydroxy-2-[(4-methoxyphenyl)methylideneamino]ethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.12085 Da
Monoisotopic Mass: 2.0
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]+	272.128126	162.0
[M+Na]+	294.110068	168.2
[M-H]-	270.113574	167.4
[M+NH4]+	289.154673	177.2
[M+K]+	310.084008	164.6
[M+H-H2O]+	254.118110	154.2
[M+HCOO]-	316.119051	185.1
[M+CH3COO]-	330.134701	198.3
[M+Na-2H]-	292.095516	166.3
[M]+	271.12030142	162.9
[M]-	271.12139858	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.