CID 9632332

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 3-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=CC(=C3)C
InChI
InChI=1S/C25H23N3O4/c1-3-18-7-11-21(12-8-18)27-23(29)24(30)28-26-16-19-9-13-22(14-10-19)32-25(31)20-6-4-5-17(2)15-20/h4-16H,3H2,1-2H3,(H,27,29)(H,28,30)/b26-16+
InChIKey
JCEPRWSWPVDIOU-WGOQTCKBSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-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 205.0
[M+Na]+ 452.15807 208.4
[M-H]- 428.16157 215.4
[M+NH4]+ 447.20267 213.5
[M+K]+ 468.13201 204.8
[M+H-H2O]+ 412.16611 193.6
[M+HCOO]- 474.16705 229.8
[M+CH3COO]- 488.18270 236.7
[M+Na-2H]- 450.14352 206.0
[M]+ 429.16830 206.5
[M]- 429.16940 206.5
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.