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 197.2
[M+Na]+ 441.07430 201.9
[M-H]- 417.07780 206.3
[M+NH4]+ 436.11890 208.2
[M+K]+ 457.04824 195.7
[M+H-H2O]+ 401.08234 188.7
[M+HCOO]- 463.08328 209.5
[M+CH3COO]- 477.09893 227.0
[M+Na-2H]- 439.05975 196.7
[M]+ 418.08453 198.4
[M]- 418.08563 198.4
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.