CID 51060955

4-bromo-2-(2-(cyclohexylcarbonyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C22H23BrN2O3
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3CCCCC3
InChI
InChI=1S/C22H23BrN2O3/c1-15-7-9-17(10-8-15)22(27)28-20-12-11-19(23)13-18(20)14-24-25-21(26)16-5-3-2-4-6-16/h7-14,16H,2-6H2,1H3,(H,25,26)/b24-14+
InChIKey
RANXCSMYPKXYIR-ZVHZXABRSA-N
Compound name
[4-bromo-2-[(E)-(cyclohexanecarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.0892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.09648 193.4
[M+Na]+ 465.07842 195.4
[M+NH4]+ 460.12302 196.6
[M+K]+ 481.05236 194.2
[M-H]- 441.08192 197.7
[M+Na-2H]- 463.06387 197.6
[M]+ 442.08865 193.5
[M]- 442.08975 193.5
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.