CID 51060304

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

Structural Information

Molecular Formula
C23H18Cl2N2O4
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18Cl2N2O4/c1-15(30-20-11-9-19(25)10-12-20)22(28)27-26-14-16-3-2-4-21(13-16)31-23(29)17-5-7-18(24)8-6-17/h2-15H,1H3,(H,27,28)/b26-14+
InChIKey
KZTPLFFFUQJTEW-VULFUBBASA-N
Compound name
[3-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.06436 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.071636 204.8
[M+Na]+ 479.053578 211.0
[M-H]- 455.057084 214.8
[M+NH4]+ 474.098183 214.2
[M+K]+ 495.027518 205.4
[M+H-H2O]+ 439.061620 195.7
[M+HCOO]- 501.062561 219.8
[M+CH3COO]- 515.078211 234.5
[M+Na-2H]- 477.039026 205.2
[M]+ 456.06381142 211.7
[M]- 456.06490858 211.7
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.