PubChemLite - 94-93-9 (C16H16N2O2)

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂

SMILES

C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2O)O

InChI

InChI=1S/C16H16N2O2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20/h1-8,11-12,19-20H,9-10H2

InChIKey

VEUMANXWQDHAJV-UHFFFAOYSA-N

Compound name

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

Related CIDs

2D Structure

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]+	269.12848	163.3
[M+Na]+	291.11042	176.2
[M+NH4]+	286.15502	170.9
[M+K]+	307.08436	168.0
[M-H]-	267.11392	168.4
[M+Na-2H]-	289.09587	172.2
[M]+	268.12065	166.5
[M]-	268.12175	166.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

269.12848

163.3

[M+Na]+

291.11042

176.2

[M+NH4]+

286.15502

170.9

[M+K]+

307.08436

168.0

[M-H]-

267.11392

168.4

[M+Na-2H]-

289.09587

172.2

[M]+

268.12065

166.5

[M]-

268.12175

166.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

94-93-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe