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 219.0
[M+Na]+ 491.25164 228.2
[M+NH4]+ 486.29624 222.6
[M+K]+ 507.22558 220.6
[M-H]- 467.25514 221.9
[M+Na-2H]- 489.23709 223.2
[M]+ 468.26187 220.7
[M]- 468.26297 220.7
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.