CID 9688958

4-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

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]+ 435.15508 202.4
[M+Na]+ 457.13702 206.5
[M-H]- 433.14052 210.6
[M+NH4]+ 452.18162 209.7
[M+K]+ 473.11096 203.1
[M+H-H2O]+ 417.14506 191.5
[M+HCOO]- 479.14600 224.6
[M+CH3COO]- 493.16165 231.0
[M+Na-2H]- 455.12247 203.3
[M]+ 434.14725 205.3
[M]- 434.14835 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.