CID 9629702

3-(2-(4-(allyloxy)benzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H19ClN2O4
SMILES
C=CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H19ClN2O4/c1-2-14-30-21-12-8-18(9-13-21)23(28)27-26-16-17-4-3-5-22(15-17)31-24(29)19-6-10-20(25)11-7-19/h2-13,15-16H,1,14H2,(H,27,28)/b26-16+
InChIKey
YFXLZQKWGIOGJG-WGOQTCKBSA-N
Compound name
[3-[(E)-[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.10333 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.11061 203.8
[M+Na]+ 457.09255 209.6
[M-H]- 433.09605 214.2
[M+NH4]+ 452.13715 213.4
[M+K]+ 473.06649 203.6
[M+H-H2O]+ 417.10059 193.4
[M+HCOO]- 479.10153 224.4
[M+CH3COO]- 493.11718 232.3
[M+Na-2H]- 455.07800 205.3
[M]+ 434.10278 209.0
[M]- 434.10388 209.0
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.