CID 9688958

765274-45-1

Structural Information

Molecular Formula
C24H22N2O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C24H22N2O6/c1-2-13-31-19-10-5-17(6-11-19)24(30)32-20-8-3-16(4-9-20)15-25-26-23(29)21-12-7-18(27)14-22(21)28/h3-12,14-15,27-28H,2,13H2,1H3,(H,26,29)/b25-15+
InChIKey
MOICRRZCCMHEQD-MFKUBSTISA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1478 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.155076 202.4
[M+Na]+ 457.137018 206.5
[M-H]- 433.140524 210.6
[M+NH4]+ 452.181623 209.7
[M+K]+ 473.110958 203.1
[M+H-H2O]+ 417.145060 191.5
[M+HCOO]- 479.146001 224.6
[M+CH3COO]- 493.161651 231.0
[M+Na-2H]- 455.122466 203.3
[M]+ 434.14725142 205.3
[M]- 434.14834858 205.3
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

No patent data available for this compound.