CID 9630418

769153-03-9

Structural Information

Molecular Formula
C29H31N3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)CC)OCC
InChI
InChI=1S/C29H31N3O6/c1-4-17-37-24-14-10-22(11-15-24)29(35)38-25-16-9-21(18-26(25)36-6-3)19-30-32-28(34)27(33)31-23-12-7-20(5-2)8-13-23/h7-16,18-19H,4-6,17H2,1-3H3,(H,31,33)(H,32,34)/b30-19+
InChIKey
SJDOPNKUVCBXJL-NDZAJKAJSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.2213 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.22858 227.9
[M+Na]+ 540.21052 237.8
[M+NH4]+ 535.25512 230.9
[M+K]+ 556.18446 231.2
[M-H]- 516.21402 233.1
[M+Na-2H]- 538.19597 234.4
[M]+ 517.22075 230.3
[M]- 517.22185 230.3
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.