CID 9639401

2-ethoxy-4-(2-(((phenylsulfonyl)amino)ac)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula
C25H25N3O7S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)CNS(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H25N3O7S/c1-3-34-23-15-18(9-14-22(23)35-25(30)19-10-12-20(33-2)13-11-19)16-26-28-24(29)17-27-36(31,32)21-7-5-4-6-8-21/h4-16,27H,3,17H2,1-2H3,(H,28,29)/b26-16+
InChIKey
GVGKJGFOMMHFEM-WGOQTCKBSA-N
Compound name
[4-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.14133 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.14861 217.2
[M+Na]+ 534.13055 226.4
[M+NH4]+ 529.17515 220.2
[M+K]+ 550.10449 219.6
[M-H]- 510.13405 221.4
[M+Na-2H]- 532.11600 224.9
[M]+ 511.14078 219.7
[M]- 511.14188 219.7
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.