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]+ 501.02113 207.0
[M+Na]+ 523.00307 215.9
[M-H]- 499.00657 219.4
[M+NH4]+ 518.04767 218.2
[M+K]+ 538.97701 203.0
[M+H-H2O]+ 483.01111 202.8
[M+HCOO]- 545.01205 224.9
[M+CH3COO]- 559.02770 237.6
[M+Na-2H]- 520.98852 209.2
[M]+ 500.01330 230.8
[M]- 500.01440 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.