CID 51060213

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

Structural Information

Molecular Formula
C29H32N2O6
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC)OC
InChI
InChI=1S/C29H32N2O6/c1-4-6-7-21-8-13-25(14-9-21)36-20-28(32)31-30-19-22-10-17-26(27(18-22)34-3)37-29(33)23-11-15-24(16-12-23)35-5-2/h8-19H,4-7,20H2,1-3H3,(H,31,32)/b30-19+
InChIKey
OLSCQTROFWLCQQ-NDZAJKAJSA-N
Compound name
[4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.22604 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.23332 225.1
[M+Na]+ 527.21526 227.6
[M-H]- 503.21876 234.8
[M+NH4]+ 522.25986 230.7
[M+K]+ 543.18920 224.8
[M+H-H2O]+ 487.22330 212.4
[M+HCOO]- 549.22424 248.4
[M+CH3COO]- 563.23989 249.6
[M+Na-2H]- 525.20071 224.1
[M]+ 504.22549 233.0
[M]- 504.22659 233.0
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.