CID 51060243

5-((4-chlorobenzoyl)oxy)-2-(2-((3-chloro-2-methylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C30H20Cl3N3O6
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C(=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/c1-17-24(33)3-2-4-25(17)35-27(37)28(38)36-34-16-20-9-14-23(41-29(39)18-5-10-21(31)11-6-18)15-26(20)42-30(40)19-7-12-22(32)13-8-19/h2-16H,1H3,(H,35,37)(H,36,38)/b34-16+
InChIKey
VJSGCLGZGNVXLW-AABVJFSESA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.04175 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.04903 239.5
[M+Na]+ 646.03097 245.2
[M-H]- 622.03447 251.5
[M+NH4]+ 641.07557 242.3
[M+K]+ 662.00491 240.7
[M+H-H2O]+ 606.03901 229.6
[M+HCOO]- 668.03995 248.9
[M+CH3COO]- 682.05560 264.4
[M+Na-2H]- 644.01642 236.5
[M]+ 623.04120 248.8
[M]- 623.04230 248.8
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.