CID 9633706

2-ethoxy-4-(2-nonanoylcarbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H30Cl2N2O4
SMILES
CCCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OCC
InChI
InChI=1S/C25H30Cl2N2O4/c1-3-5-6-7-8-9-10-24(30)29-28-17-18-11-14-22(23(15-18)32-4-2)33-25(31)20-13-12-19(26)16-21(20)27/h11-17H,3-10H2,1-2H3,(H,29,30)/b28-17+
InChIKey
ATCZLAIKHNFOTQ-OGLMXYFKSA-N
Compound name
[2-ethoxy-4-[(E)-(nonanoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.15826 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.16554 219.6
[M+Na]+ 515.14748 224.9
[M-H]- 491.15098 225.9
[M+NH4]+ 510.19208 228.6
[M+K]+ 531.12142 218.4
[M+H-H2O]+ 475.15552 211.1
[M+HCOO]- 537.15646 233.6
[M+CH3COO]- 551.17211 244.5
[M+Na-2H]- 513.13293 216.8
[M]+ 492.15771 230.3
[M]- 492.15881 230.3
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.