CID 9631093

4-(2-dodecanoylcarbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C28H37ClN2O4
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OCC
InChI
InChI=1S/C28H37ClN2O4/c1-3-5-6-7-8-9-10-11-12-13-27(32)31-30-21-22-14-19-25(26(20-22)34-4-2)35-28(33)23-15-17-24(29)18-16-23/h14-21H,3-13H2,1-2H3,(H,31,32)/b30-21+
InChIKey
FGEWBIYFOUSKMJ-MWAVMZGNSA-N
Compound name
[4-[(E)-(dodecanoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.24417 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.25145 227.6
[M+Na]+ 523.23339 230.2
[M-H]- 499.23689 233.5
[M+NH4]+ 518.27799 235.2
[M+K]+ 539.20733 224.1
[M+H-H2O]+ 483.24143 217.2
[M+HCOO]- 545.24237 245.5
[M+CH3COO]- 559.25802 248.4
[M+Na-2H]- 521.21884 224.5
[M]+ 500.24362 237.5
[M]- 500.24472 237.5
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.