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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16524 198.4
[M+Na]+ 425.14718 211.8
[M+NH4]+ 420.19178 204.4
[M+K]+ 441.12112 203.7
[M-H]- 401.15068 205.0
[M+Na-2H]- 423.13263 208.0
[M]+ 402.15741 202.1
[M]- 402.15851 202.1
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.