CID 9607863

4-br-2-(2-(((3-methylbenzoyl)amino)ac)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C24H19BrClN3O4
SMILES
CC1=CC(=CC=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C24H19BrClN3O4/c1-15-5-4-6-16(11-15)23(31)27-14-22(30)29-28-13-17-12-18(25)9-10-21(17)33-24(32)19-7-2-3-8-20(19)26/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
InChIKey
DMZBMLBRGVHTEI-XODNFHPESA-N
Compound name
[4-bromo-2-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.0248 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.03208 213.4
[M+Na]+ 550.01402 220.8
[M-H]- 526.01752 225.6
[M+NH4]+ 545.05862 223.0
[M+K]+ 565.98796 207.7
[M+H-H2O]+ 510.02206 208.6
[M+HCOO]- 572.02300 231.2
[M+CH3COO]- 586.03865 244.8
[M+Na-2H]- 547.99947 214.6
[M]+ 527.02425 235.5
[M]- 527.02535 235.5
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.