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 219.1
[M+Na]+ 534.13055 221.8
[M-H]- 510.13405 228.9
[M+NH4]+ 529.17515 224.1
[M+K]+ 550.10449 218.8
[M+H-H2O]+ 494.13859 207.4
[M+HCOO]- 556.13953 238.6
[M+CH3COO]- 570.15518 246.9
[M+Na-2H]- 532.11600 222.1
[M]+ 511.14078 226.1
[M]- 511.14188 226.1
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.