CID 45055296

2-(2-((2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H19ClN2O5
SMILES
COC1=CC=CC=C1OCC(=O)N/N=C/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H19ClN2O5/c1-29-20-8-4-5-9-21(20)30-15-22(27)26-25-14-17-6-2-3-7-19(17)31-23(28)16-10-12-18(24)13-11-16/h2-14H,15H2,1H3,(H,26,27)/b25-14+
InChIKey
ZTYHEQJWJUNLBE-AFUMVMLFSA-N
Compound name
[2-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09824 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.10552 202.3
[M+Na]+ 461.08746 208.0
[M-H]- 437.09096 212.9
[M+NH4]+ 456.13206 211.7
[M+K]+ 477.06140 203.7
[M+H-H2O]+ 421.09550 191.9
[M+HCOO]- 483.09644 223.3
[M+CH3COO]- 497.11209 232.2
[M+Na-2H]- 459.07291 204.6
[M]+ 438.09769 209.3
[M]- 438.09879 209.3
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.