CID 9634686

3-(2-(2-(2-nitrophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H18ClN3O6
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C23H18ClN3O6/c1-15(32-21-8-3-2-7-20(21)27(30)31)22(28)26-25-14-16-5-4-6-19(13-16)33-23(29)17-9-11-18(24)12-10-17/h2-15H,1H3,(H,26,28)/b25-14+
InChIKey
UXFKQSWHEVCQKQ-AFUMVMLFSA-N
Compound name
[3-[(E)-[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.0884 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.09568 208.5
[M+Na]+ 490.07762 211.1
[M-H]- 466.08112 218.4
[M+NH4]+ 485.12222 215.1
[M+K]+ 506.05156 203.6
[M+H-H2O]+ 450.08566 202.4
[M+HCOO]- 512.08660 228.9
[M+CH3COO]- 526.10225 231.6
[M+Na-2H]- 488.06307 211.2
[M]+ 467.08785 211.9
[M]- 467.08895 211.9
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.