CID 51060705

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C25H23N3O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C25H23N3O4/c1-3-18-6-12-21(13-7-18)27-23(29)24(30)28-26-16-19-8-14-22(15-9-19)32-25(31)20-10-4-17(2)5-11-20/h4-16H,3H2,1-2H3,(H,27,29)(H,28,30)/b26-16+
InChIKey
CVBBEZQXSGMWLC-WGOQTCKBSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.16885 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17613 205.5
[M+Na]+ 452.15807 217.0
[M+NH4]+ 447.20267 210.4
[M+K]+ 468.13201 209.9
[M-H]- 428.16157 211.8
[M+Na-2H]- 450.14352 214.0
[M]+ 429.16830 208.6
[M]- 429.16940 208.6
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.