CID 45054898

2-ethoxy-4-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C27H28N2O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(C3=CC=CC=C3)O)OCC
InChI
InChI=1S/C27H28N2O6/c1-3-16-34-22-13-11-21(12-14-22)27(32)35-23-15-10-19(17-24(23)33-4-2)18-28-29-26(31)25(30)20-8-6-5-7-9-20/h5-15,17-18,25,30H,3-4,16H2,1-2H3,(H,29,31)/b28-18+
InChIKey
NIOKWIKIUGDXIO-MTDXEUNCSA-N
Compound name
[2-ethoxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.19473 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.20201 215.6
[M+Na]+ 499.18395 217.4
[M-H]- 475.18745 224.1
[M+NH4]+ 494.22855 221.3
[M+K]+ 515.15789 214.8
[M+H-H2O]+ 459.19199 203.7
[M+HCOO]- 521.19293 237.2
[M+CH3COO]- 535.20858 241.3
[M+Na-2H]- 497.16940 214.9
[M]+ 476.19418 220.1
[M]- 476.19528 220.1
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.