CID 9639198

4-(2-dodecanoylcarbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H36Cl2N2O4
SMILES
CCCCCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OCC
InChI
InChI=1S/C28H36Cl2N2O4/c1-3-5-6-7-8-9-10-11-12-13-27(33)32-31-20-21-14-17-25(26(18-21)35-4-2)36-28(34)23-16-15-22(29)19-24(23)30/h14-20H,3-13H2,1-2H3,(H,32,33)/b31-20+
InChIKey
QYJDPIUOXHFHKY-AJBULDERSA-N
Compound name
[4-[(E)-(dodecanoylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

534.2052 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.21248 232.7
[M+Na]+ 557.19442 236.8
[M-H]- 533.19792 238.5
[M+NH4]+ 552.23902 240.0
[M+K]+ 573.16836 229.6
[M+H-H2O]+ 517.20246 223.6
[M+HCOO]- 579.20340 245.7
[M+CH3COO]- 593.21905 252.9
[M+Na-2H]- 555.17987 228.4
[M]+ 534.20465 244.5
[M]- 534.20575 244.5
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.