CID 45055216

2-(2-((3-methylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H19ClN2O4
SMILES
CC1=CC(=CC=C1)OCC(=O)N/N=C/C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H19ClN2O4/c1-16-5-4-7-20(13-16)29-15-22(27)26-25-14-18-6-2-3-8-21(18)30-23(28)17-9-11-19(24)12-10-17/h2-14H,15H2,1H3,(H,26,27)/b25-14+
InChIKey
SLQCXZUPZNEBIX-AFUMVMLFSA-N
Compound name
[2-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.10333 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11061 200.2
[M+Na]+ 445.09255 214.6
[M+NH4]+ 440.13715 206.7
[M+K]+ 461.06649 205.8
[M-H]- 421.09605 206.9
[M+Na-2H]- 443.07800 210.1
[M]+ 422.10278 204.4
[M]- 422.10388 204.4
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.