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	160.9
[M+Na]+	291.11042	167.4
[M-H]-	267.11392	167.6
[M+NH4]+	286.15502	176.7
[M+K]+	307.08436	162.9
[M+H-H2O]+	251.11846	152.5
[M+HCOO]-	313.11940	187.5
[M+CH3COO]-	327.13505	201.4
[M+Na-2H]-	289.09587	167.3
[M]+	268.12065	161.3
[M]-	268.12175	161.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

269.12848

160.9

[M+Na]+

291.11042

167.4

[M-H]-

267.11392

167.6

[M+NH4]+

286.15502

176.7

[M+K]+

307.08436

162.9

[M+H-H2O]+

251.11846

152.5

[M+HCOO]-

313.11940

187.5

[M+CH3COO]-

327.13505

201.4

[M+Na-2H]-

289.09587

167.3

[M]+

268.12065

161.3

[M]-

268.12175

161.3

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

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