CID 51060320

5-((4-chlorobenzoyl)oxy)-2-(2-(2-(2-nitrophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C30H21Cl2N3O8
SMILES
CC(C(=O)N/N=C/C1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl)OC4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C30H21Cl2N3O8/c1-18(41-26-5-3-2-4-25(26)35(39)40)28(36)34-33-17-21-10-15-24(42-29(37)19-6-11-22(31)12-7-19)16-27(21)43-30(38)20-8-13-23(32)14-9-20/h2-18H,1H3,(H,34,36)/b33-17+
InChIKey
ZUUPFVQINIUVRA-ATZGPIRCSA-N
Compound name
[3-(4-chlorobenzoyl)oxy-4-[(E)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.07056 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.07784 241.8
[M+Na]+ 644.05978 242.9
[M-H]- 620.06328 253.6
[M+NH4]+ 639.10438 242.1
[M+K]+ 660.03372 236.3
[M+H-H2O]+ 604.06782 234.5
[M+HCOO]- 666.06876 255.2
[M+CH3COO]- 680.08441 257.1
[M+Na-2H]- 642.04523 241.4
[M]+ 621.07001 249.0
[M]- 621.07111 249.0
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.