CID 9633025

4-(2-(3-bromobenzoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H18BrClN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18BrClN2O4/c1-2-30-21-12-15(14-26-27-22(28)17-4-3-5-18(24)13-17)6-11-20(21)31-23(29)16-7-9-19(25)10-8-16/h3-14H,2H2,1H3,(H,27,28)/b26-14+
InChIKey
QNGPCWGHPGXBDV-VULFUBBASA-N
Compound name
[4-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.01385 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.021126 207.0
[M+Na]+ 523.003068 215.9
[M-H]- 499.006574 219.4
[M+NH4]+ 518.047673 218.2
[M+K]+ 538.977008 203.0
[M+H-H2O]+ 483.011110 202.8
[M+HCOO]- 545.012051 224.9
[M+CH3COO]- 559.027701 237.6
[M+Na-2H]- 520.988516 209.2
[M]+ 500.01330142 230.8
[M]- 500.01439858 230.8
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.