PubChemLite - 5-((4-chlorobenzoyl)oxy)-2-(2-(4-ethoxybenzoyl)carbohydrazonoyl)ph 4-cl-benzoate (C30H22Cl2N2O6)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)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/C30H22Cl2N2O6/c1-2-38-25-14-7-19(8-15-25)28(35)34-33-18-22-9-16-26(39-29(36)20-3-10-23(31)11-4-20)17-27(22)40-30(37)21-5-12-24(32)13-6-21/h3-18H,2H2,1H3,(H,34,35)/b33-18+

InChIKey

UFRJCVTVHSPCGM-DPNNOFEESA-N

Compound name

[3-(4-chlorobenzoyl)oxy-4-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	577.09278	234.0
[M+Na]+	599.07472	239.5
[M-H]-	575.07822	246.8
[M+NH4]+	594.11932	238.1
[M+K]+	615.04866	234.6
[M+H-H2O]+	559.08276	222.5
[M+HCOO]-	621.08370	248.1
[M+CH3COO]-	635.09935	255.9
[M+Na-2H]-	597.06017	232.5
[M]+	576.08495	243.5
[M]-	576.08605	243.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

577.09278

234.0

[M+Na]+

599.07472

239.5

[M-H]-

575.07822

246.8

[M+NH4]+

594.11932

238.1

[M+K]+

615.04866

234.6

[M+H-H2O]+

559.08276

222.5

[M+HCOO]-

621.08370

248.1

[M+CH3COO]-

635.09935

255.9

[M+Na-2H]-

597.06017

232.5

[M]+

576.08495

243.5

[M]-

576.08605

243.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-((4-chlorobenzoyl)oxy)-2-(2-(4-ethoxybenzoyl)carbohydrazonoyl)ph 4-cl-benzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe