CID 9669263

477734-95-5

Structural Information

Molecular Formula
C21H20Cl2N2O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H20Cl2N2O3/c22-16-8-11-18(19(23)12-16)21(27)28-17-9-6-14(7-10-17)13-24-25-20(26)15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H,25,26)/b24-13+
InChIKey
LEGRVMKTCOIDFV-ZMOGYAJESA-N
Compound name
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.08508 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09236 195.8
[M+Na]+ 441.07430 209.0
[M+NH4]+ 436.11890 203.2
[M+K]+ 457.04824 200.1
[M-H]- 417.07780 202.1
[M+Na-2H]- 439.05975 204.0
[M]+ 418.08453 199.9
[M]- 418.08563 199.9
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.