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]+ 501.021126 206.7
[M+Na]+ 523.003068 214.5
[M-H]- 499.006574 218.9
[M+NH4]+ 518.047673 217.5
[M+K]+ 538.977008 202.0
[M+H-H2O]+ 483.011110 202.6
[M+HCOO]- 545.012051 223.8
[M+CH3COO]- 559.027701 237.2
[M+Na-2H]- 520.988516 208.6
[M]+ 500.01330142 229.7
[M]- 500.01439858 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.