CID 84422

Refchem:187003

Structural Information

Molecular Formula
C18H20N2O6
SMILES
COC1=CC(=CC(=C1O)OC)C=NN=CC2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C18H20N2O6/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4/h5-10,21-22H,1-4H3
InChIKey
YARKTHNUMGKMGS-UHFFFAOYSA-N
Compound name
4-[[(4-hydroxy-3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

130
References

2309
Patents

360.13214 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.139416 181.3
[M+Na]+ 383.121358 189.6
[M-H]- 359.124864 189.0
[M+NH4]+ 378.165963 194.0
[M+K]+ 399.095298 187.9
[M+H-H2O]+ 343.129400 172.2
[M+HCOO]- 405.130341 207.7
[M+CH3COO]- 419.145991 221.5
[M+Na-2H]- 381.106806 184.1
[M]+ 360.13159142 189.7
[M]- 360.13268858 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe