CID 51060295

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

Structural Information

Molecular Formula
C24H21ClN2O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H21ClN2O4/c1-16-4-3-5-19(14-16)24(29)31-22-10-6-18(7-11-22)15-26-27-23(28)17(2)30-21-12-8-20(25)9-13-21/h3-15,17H,1-2H3,(H,27,28)/b26-15+
InChIKey
BWBYYNASIPAEHP-CVKSISIWSA-N
Compound name
[4-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.119 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12628 203.9
[M+Na]+ 459.10822 217.8
[M+NH4]+ 454.15282 210.1
[M+K]+ 475.08216 209.6
[M-H]- 435.11172 210.4
[M+Na-2H]- 457.09367 213.2
[M]+ 436.11845 207.9
[M]- 436.11955 207.9
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.