CID 9630951

4-(2-((4-ethylanilino)(oxo)ac)carbohydrazonoyl)-2-methoxyphenyl 4-butoxybenzoate

Structural Information

Molecular Formula
C29H31N3O6
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)CC)OC
InChI
InChI=1S/C29H31N3O6/c1-4-6-17-37-24-14-10-22(11-15-24)29(35)38-25-16-9-21(18-26(25)36-3)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
GCLJQQCIWQFNKF-NDZAJKAJSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

517.2213 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.22858 227.5
[M+Na]+ 540.21052 229.2
[M-H]- 516.21402 237.3
[M+NH4]+ 535.25512 232.2
[M+K]+ 556.18446 226.8
[M+H-H2O]+ 500.21856 214.8
[M+HCOO]- 562.21950 251.0
[M+CH3COO]- 576.23515 254.0
[M+Na-2H]- 538.19597 226.1
[M]+ 517.22075 233.4
[M]- 517.22185 233.4
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.