CID 3034270

1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone 2-[1-(4-hydroxy-3,5-dimethoxyphenyl)propylidene]hydrazone

Structural Information

Molecular Formula
C22H28N2O6
SMILES
CCC(=NN=C(CC)C1=CC(=C(C(=C1)OC)O)OC)C2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C22H28N2O6/c1-7-15(13-9-17(27-3)21(25)18(10-13)28-4)23-24-16(8-2)14-11-19(29-5)22(26)20(12-14)30-6/h9-12,25-26H,7-8H2,1-6H3
InChIKey
DVVQQGUHFRQXLF-UHFFFAOYSA-N
Compound name
4-[C-ethyl-N-[1-(4-hydroxy-3,5-dimethoxyphenyl)propylideneamino]carbonimidoyl]-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

416.19473 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20201 199.8
[M+Na]+ 439.18395 205.7
[M-H]- 415.18745 206.9
[M+NH4]+ 434.22855 210.0
[M+K]+ 455.15789 204.5
[M+H-H2O]+ 399.19199 190.2
[M+HCOO]- 461.19293 222.8
[M+CH3COO]- 475.20858 235.1
[M+Na-2H]- 437.16940 198.2
[M]+ 416.19418 208.3
[M]- 416.19528 208.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe