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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	437.126276	204.3
[M+Na]+	459.108218	209.5
[M-H]-	435.111724	214.8
[M+NH4]+	454.152823	213.8
[M+K]+	475.082158	204.8
[M+H-H2O]+	419.116260	194.1
[M+HCOO]-	481.117201	223.8
[M+CH3COO]-	495.132851	233.8
[M+Na-2H]-	457.093666	204.8
[M]+	436.11845142	209.8
[M]-	436.11954858	209.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.