CID 45055308

3-(2-(2-(4-bromophenoxy)propanoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C24H21BrN2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H21BrN2O5/c1-16(31-21-12-8-19(25)9-13-21)23(28)27-26-15-17-4-3-5-22(14-17)32-24(29)18-6-10-20(30-2)11-7-18/h3-16H,1-2H3,(H,27,28)/b26-15+
InChIKey
PKSYDJYUXSDXIG-CVKSISIWSA-N
Compound name
[3-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.0634 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.07068 208.2
[M+Na]+ 519.05262 214.1
[M-H]- 495.05612 220.2
[M+NH4]+ 514.09722 217.9
[M+K]+ 535.02656 203.9
[M+H-H2O]+ 479.06066 202.8
[M+HCOO]- 541.06160 229.2
[M+CH3COO]- 555.07725 238.8
[M+Na-2H]- 517.03807 209.9
[M]+ 496.06285 230.1
[M]- 496.06395 230.1
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.