CID 9653159

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

Structural Information

Molecular Formula
C23H18Cl2N2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18Cl2N2O4/c1-15(30-20-12-8-19(25)9-13-20)22(28)27-26-14-16-2-10-21(11-3-16)31-23(29)17-4-6-18(24)7-5-17/h2-15H,1H3,(H,27,28)/b26-14+
InChIKey
ZNBFHDJMVRPBKO-VULFUBBASA-N
Compound name
[4-[(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]+ 457.07164 204.8
[M+Na]+ 479.05358 211.0
[M-H]- 455.05708 214.8
[M+NH4]+ 474.09818 214.2
[M+K]+ 495.02752 205.4
[M+H-H2O]+ 439.06162 195.7
[M+HCOO]- 501.06256 219.8
[M+CH3COO]- 515.07821 234.5
[M+Na-2H]- 477.03903 205.2
[M]+ 456.06381 211.7
[M]- 456.06491 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.