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 218.0
[M+Na]+ 497.20470 220.5
[M-H]- 473.20820 227.6
[M+NH4]+ 492.24930 224.8
[M+K]+ 513.17864 216.8
[M+H-H2O]+ 457.21274 205.6
[M+HCOO]- 519.21368 241.6
[M+CH3COO]- 533.22933 243.3
[M+Na-2H]- 495.19015 218.1
[M]+ 474.21493 223.9
[M]- 474.21603 223.9
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.