CID 51060397

2-(2-(((3-chlorobenzoyl)amino)acetyl)carbohydrazonoyl)-5-((4-chlorobenzoyl)oxy)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C30H20Cl3N3O6
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NCC(=O)N/N=C/C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C30H20Cl3N3O6/c31-22-9-4-18(5-10-22)29(39)41-25-13-8-21(26(15-25)42-30(40)19-6-11-23(32)12-7-19)16-35-36-27(37)17-34-28(38)20-2-1-3-24(33)14-20/h1-16H,17H2,(H,34,38)(H,36,37)/b35-16+
InChIKey
KCNMPVYBROFTMV-QNVXDBMFSA-N
Compound name
[4-[(E)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.04175 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.04903 238.5
[M+Na]+ 646.03097 243.3
[M-H]- 622.03447 250.1
[M+NH4]+ 641.07557 240.9
[M+K]+ 662.00491 238.6
[M+H-H2O]+ 606.03901 228.4
[M+HCOO]- 668.03995 247.9
[M+CH3COO]- 682.05560 263.6
[M+Na-2H]- 644.01642 236.2
[M]+ 623.04120 247.4
[M]- 623.04230 247.4
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.