CID 9636624

4-(2-decanoylcarbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H36N2O5
SMILES
CCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)OCC
InChI
InChI=1S/C27H36N2O5/c1-4-6-7-8-9-10-11-12-26(30)29-28-20-21-13-18-24(25(19-21)33-5-2)34-27(31)22-14-16-23(32-3)17-15-22/h13-20H,4-12H2,1-3H3,(H,29,30)/b28-20+
InChIKey
NSVMWCZOXGVPQP-VFCFBJKWSA-N
Compound name
[4-[(E)-(decanoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.26242 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.26970 218.9
[M+Na]+ 491.25164 220.8
[M-H]- 467.25514 225.1
[M+NH4]+ 486.29624 226.7
[M+K]+ 507.22558 217.5
[M+H-H2O]+ 451.25968 207.6
[M+HCOO]- 513.26062 241.7
[M+CH3COO]- 527.27627 244.3
[M+Na-2H]- 489.23709 217.0
[M]+ 468.26187 227.4
[M]- 468.26297 227.4
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.