CID 9639577

4-br-2-(2-(((3-chlorobenzoyl)amino)ac)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H19BrClN3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C24H19BrClN3O5/c1-33-20-8-5-15(6-9-20)24(32)34-21-10-7-18(25)11-17(21)13-28-29-22(30)14-27-23(31)16-3-2-4-19(26)12-16/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
InChIKey
ZYIFFFDLBYUWRU-XODNFHPESA-N
Compound name
[4-bromo-2-[(E)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.01965 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.02693 214.8
[M+Na]+ 566.00887 221.9
[M-H]- 542.01237 227.0
[M+NH4]+ 561.05347 223.6
[M+K]+ 581.98281 209.6
[M+H-H2O]+ 526.01691 209.7
[M+HCOO]- 588.01785 232.7
[M+CH3COO]- 602.03350 246.9
[M+Na-2H]- 563.99432 216.3
[M]+ 543.01910 238.2
[M]- 543.02020 238.2
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.