CID 51060401

4-(2-((4-butylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C28H30N2O5
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C28H30N2O5/c1-3-5-6-21-7-13-25(14-8-21)34-20-27(31)30-29-19-22-9-15-26(16-10-22)35-28(32)23-11-17-24(18-12-23)33-4-2/h7-19H,3-6,20H2,1-2H3,(H,30,31)/b29-19+
InChIKey
JBIDPLOLEMPDCN-VUTHCHCSSA-N
Compound name
[4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.21548 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.22276 218.8
[M+Na]+ 497.20470 230.8
[M+NH4]+ 492.24930 223.5
[M+K]+ 513.17864 222.4
[M-H]- 473.20820 224.7
[M+Na-2H]- 495.19015 226.9
[M]+ 474.21493 222.0
[M]- 474.21603 222.0
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.