CID 51060738

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)-2-methoxyphenyl benzoate

Structural Information

Molecular Formula
C25H23N3O5
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C25H23N3O5/c1-3-17-9-12-20(13-10-17)27-23(29)24(30)28-26-16-18-11-14-21(22(15-18)32-2)33-25(31)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,27,29)(H,28,30)/b26-16+
InChIKey
QYYDLHJSKRWTPR-WGOQTCKBSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 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]+ 446.171036 207.4
[M+Na]+ 468.152978 210.4
[M-H]- 444.156484 217.8
[M+NH4]+ 463.197583 215.0
[M+K]+ 484.126918 207.7
[M+H-H2O]+ 428.161020 195.7
[M+HCOO]- 490.161961 232.3
[M+CH3COO]- 504.177611 238.9
[M+Na-2H]- 466.138426 208.6
[M]+ 445.16321142 210.2
[M]- 445.16430858 210.2
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.