CID 9624793

4-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 3-chlorobenzoate

Structural Information

Molecular Formula
C28H20Cl2N2O4
SMILES
C1=CC(=CC(=C1)Cl)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H20Cl2N2O4/c29-23-10-4-20(5-11-23)18-35-25-14-8-21(9-15-25)27(33)32-31-17-19-6-12-26(13-7-19)36-28(34)22-2-1-3-24(30)16-22/h1-17H,18H2,(H,32,33)/b31-17+
InChIKey
FIWDCJQSGZUESX-KBVAKVRCSA-N
Compound name
[4-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.08 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.08728 222.9
[M+Na]+ 541.06922 229.0
[M-H]- 517.07272 235.3
[M+NH4]+ 536.11382 229.3
[M+K]+ 557.04316 222.1
[M+H-H2O]+ 501.07726 211.5
[M+HCOO]- 563.07820 237.9
[M+CH3COO]- 577.09385 245.2
[M+Na-2H]- 539.05467 223.4
[M]+ 518.07945 229.7
[M]- 518.08055 229.7
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.