CID 9638776

4-br-2-(2-(((4-ethoxybenzoyl)amino)ac)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C28H28BrN3O6
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C28H28BrN3O6/c1-3-15-37-24-12-7-20(8-13-24)28(35)38-25-14-9-22(29)16-21(25)17-31-32-26(33)18-30-27(34)19-5-10-23(11-6-19)36-4-2/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,30,34)(H,32,33)/b31-17+
InChIKey
WOLZLKKTNSFLSQ-KBVAKVRCSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.11615 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.12343 226.5
[M+Na]+ 604.10537 227.3
[M+NH4]+ 599.14997 226.5
[M+K]+ 620.07931 226.7
[M-H]- 580.10887 229.6
[M+Na-2H]- 602.09082 229.3
[M]+ 581.11560 226.0
[M]- 581.11670 226.0
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.