CID 9639176

2-ethoxy-4-(2-nonanoylcarbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C26H34N2O5
SMILES
CCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)OCC
InChI
InChI=1S/C26H34N2O5/c1-4-6-7-8-9-10-11-25(29)28-27-19-20-12-17-23(24(18-20)32-5-2)33-26(30)21-13-15-22(31-3)16-14-21/h12-19H,4-11H2,1-3H3,(H,28,29)/b27-19+
InChIKey
IRYBYEJPAKUGIX-ZXVVBBHZSA-N
Compound name
[2-ethoxy-4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.24677 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.25405 214.4
[M+Na]+ 477.23599 216.8
[M-H]- 453.23949 220.9
[M+NH4]+ 472.28059 222.8
[M+K]+ 493.20993 213.8
[M+H-H2O]+ 437.24403 203.4
[M+HCOO]- 499.24497 237.7
[M+CH3COO]- 513.26062 241.4
[M+Na-2H]- 475.22144 213.1
[M]+ 454.24622 222.6
[M]- 454.24732 222.6
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.