CID 51060135

Methyl 4-((2-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C26H25N3O5
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C26H25N3O5/c1-3-18-10-14-22(15-11-18)28-24(30)25(31)29-27-16-21-6-4-5-7-23(21)34-17-19-8-12-20(13-9-19)26(32)33-2/h4-16H,3,17H2,1-2H3,(H,28,30)(H,29,31)/b27-16+
InChIKey
BKHRANLQJIVFMW-JVWAILMASA-N
Compound name
methyl 4-[[2-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1794 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.18668 211.8
[M+Na]+ 482.16862 214.4
[M-H]- 458.17212 221.9
[M+NH4]+ 477.21322 218.8
[M+K]+ 498.14256 211.4
[M+H-H2O]+ 442.17666 199.8
[M+HCOO]- 504.17760 236.3
[M+CH3COO]- 518.19325 241.8
[M+Na-2H]- 480.15407 212.4
[M]+ 459.17885 214.9
[M]- 459.17995 214.9
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.