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]+ 439.105516 202.3
[M+Na]+ 461.087458 208.0
[M-H]- 437.090964 212.9
[M+NH4]+ 456.132063 211.7
[M+K]+ 477.061398 203.7
[M+H-H2O]+ 421.095500 191.9
[M+HCOO]- 483.096441 223.3
[M+CH3COO]- 497.112091 232.2
[M+Na-2H]- 459.072906 204.6
[M]+ 438.09769142 209.3
[M]- 438.09878858 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.