CID 9611809

4-(2-(cyclohexylcarbonyl)carbohydrazonoyl)phenyl 4-bromobenzoate

Structural Information

Molecular Formula
C21H21BrN2O3
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C21H21BrN2O3/c22-18-10-8-17(9-11-18)21(26)27-19-12-6-15(7-13-19)14-23-24-20(25)16-4-2-1-3-5-16/h6-14,16H,1-5H2,(H,24,25)/b23-14+
InChIKey
VFXASTWYOOAHSX-OEAKJJBVSA-N
Compound name
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.07355 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.08083 189.4
[M+Na]+ 451.06277 191.3
[M+NH4]+ 446.10737 192.7
[M+K]+ 467.03671 190.1
[M-H]- 427.06627 193.6
[M+Na-2H]- 449.04822 194.1
[M]+ 428.07300 189.5
[M]- 428.07410 189.5
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.