CID 45054885

4-bromo-2-(2-(2-chlorobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C22H16BrClN2O4
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C22H16BrClN2O4/c1-29-17-9-6-14(7-10-17)22(28)30-20-11-8-16(23)12-15(20)13-25-26-21(27)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
NUNCPIZRYZVICA-DHRITJCHSA-N
Compound name
[4-bromo-2-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.9982 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.00548 202.5
[M+Na]+ 508.98742 211.9
[M-H]- 484.99092 215.2
[M+NH4]+ 504.03202 214.3
[M+K]+ 524.96136 199.1
[M+H-H2O]+ 468.99546 198.5
[M+HCOO]- 530.99640 220.8
[M+CH3COO]- 545.01205 234.9
[M+Na-2H]- 506.97287 205.2
[M]+ 485.99765 226.0
[M]- 485.99875 226.0
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.