CID 45054998

4-(2-decanoylcarbohydrazonoyl)-2-methoxyphenyl 4-methoxybenzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.24677 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.254046 214.4
[M+Na]+ 477.235988 216.8
[M-H]- 453.239494 220.9
[M+NH4]+ 472.280593 222.8
[M+K]+ 493.209928 213.8
[M+H-H2O]+ 437.244030 203.4
[M+HCOO]- 499.244971 237.7
[M+CH3COO]- 513.260621 241.4
[M+Na-2H]- 475.221436 213.1
[M]+ 454.24622142 222.6
[M]- 454.24731858 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.