CID 51060556

4-(2-(((3-bromobenzoyl)amino)acetyl)carbohydrazonoyl)-2-methoxyphenyl benzoate

Structural Information

Molecular Formula
C24H20BrN3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC(=CC=C2)Br)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H20BrN3O5/c1-32-21-12-16(10-11-20(21)33-24(31)17-6-3-2-4-7-17)14-27-28-22(29)15-26-23(30)18-8-5-9-19(25)13-18/h2-14H,15H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
MAXVMNGJNJGJMO-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-[(3-bromobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.05862 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.06590 209.3
[M+Na]+ 532.04784 214.4
[M-H]- 508.05134 221.0
[M+NH4]+ 527.09244 218.0
[M+K]+ 548.02178 203.6
[M+H-H2O]+ 492.05588 203.1
[M+HCOO]- 554.05682 231.3
[M+CH3COO]- 568.07247 242.6
[M+Na-2H]- 530.03329 211.6
[M]+ 509.05807 229.6
[M]- 509.05917 229.6
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.