CID 74331

1696-60-2

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₄

SMILES

COC1=C(C=CC(=C1)C=NN=CC2=CC(=C(C=C2)O)OC)O

InChI

InChI=1S/C16H16N2O4/c1-21-15-7-11(3-5-13(15)19)9-17-18-10-12-4-6-14(20)16(8-12)22-2/h3-10,19-20H,1-2H3

InChIKey

GGQDJSIYHIRXDW-UHFFFAOYSA-N

Compound name

4-[[(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 105
Patents: 300.111 Da
Monoisotopic Mass: 2.5
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]+	301.11828	169.3
[M+Na]+	323.10022	182.0
[M+NH4]+	318.14482	175.7
[M+K]+	339.07416	175.2
[M-H]-	299.10372	173.5
[M+Na-2H]-	321.08567	176.8
[M]+	300.11045	172.1
[M]-	300.11155	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe