CID 9688238

4-(2-(cyclohexylcarbonyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C22H23BrN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2CCCCC2)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C22H23BrN2O4/c1-28-20-12-15(14-24-25-21(26)16-6-3-2-4-7-16)10-11-19(20)29-22(27)17-8-5-9-18(23)13-17/h5,8-14,16H,2-4,6-7H2,1H3,(H,25,26)/b24-14+
InChIKey
FYCDIOCHOCHWGD-ZVHZXABRSA-N
Compound name
[4-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.0841 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09138 200.1
[M+Na]+ 481.07332 204.8
[M-H]- 457.07682 211.3
[M+NH4]+ 476.11792 211.4
[M+K]+ 497.04726 193.9
[M+H-H2O]+ 441.08136 195.4
[M+HCOO]- 503.08230 218.6
[M+CH3COO]- 517.09795 231.7
[M+Na-2H]- 479.05877 201.0
[M]+ 458.08355 216.9
[M]- 458.08465 216.9
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.