CID 9552254

Methyl 4-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula

C₂₄H₂₂N₂O₄

SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H22N2O4/c1-17-3-5-19(6-4-17)16-30-22-13-11-20(12-14-22)23(27)26-25-15-18-7-9-21(10-8-18)24(28)29-2/h3-15H,16H2,1-2H3,(H,26,27)/b25-15+

InChIKey

KDBQPHCEQVCIAV-MFKUBSTISA-N

Compound name

methyl 4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 402.15796 Da
Monoisotopic Mass: 4.5
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]+	403.165236	197.8
[M+Na]+	425.147178	202.4
[M-H]-	401.150684	208.3
[M+NH4]+	420.191783	207.8
[M+K]+	441.121118	198.7
[M+H-H2O]+	385.155220	186.6
[M+HCOO]-	447.156161	222.7
[M+CH3COO]-	461.171811	229.5
[M+Na-2H]-	423.132626	199.8
[M]+	402.15741142	201.0
[M]-	402.15850858	201.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.