CID 45055211

2-ethoxy-4-(2-(oxo(3-toluidino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C25H23N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC(=C2)C)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H23N3O5/c1-3-32-22-15-18(12-13-21(22)33-25(31)19-9-5-4-6-10-19)16-26-28-24(30)23(29)27-20-11-7-8-17(2)14-20/h4-16H,3H2,1-2H3,(H,27,29)(H,28,30)/b26-16+
InChIKey
WBYHYKFRDNABJY-WGOQTCKBSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.16376 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17104 208.0
[M+Na]+ 468.15298 219.0
[M+NH4]+ 463.19758 212.3
[M+K]+ 484.12692 212.5
[M-H]- 444.15648 213.8
[M+Na-2H]- 466.13843 216.2
[M]+ 445.16321 210.8
[M]- 445.16431 210.8
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.