CID 9626660

4-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C23H18BrClN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)Br)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18BrClN2O4/c1-15(30-20-11-7-19(25)8-12-20)22(28)27-26-14-16-5-9-21(10-6-16)31-23(29)17-3-2-4-18(24)13-17/h2-15H,1H3,(H,27,28)/b26-14+
InChIKey
AFRPPWLECFLPIV-VULFUBBASA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.01385 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.02113 206.7
[M+Na]+ 523.00307 214.5
[M-H]- 499.00657 218.9
[M+NH4]+ 518.04767 217.5
[M+K]+ 538.97701 202.0
[M+H-H2O]+ 483.01111 202.6
[M+HCOO]- 545.01205 223.8
[M+CH3COO]- 559.02770 237.2
[M+Na-2H]- 520.98852 208.6
[M]+ 500.01330 229.7
[M]- 500.01440 229.7
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.