CID 9607840

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

Structural Information

Molecular Formula
C27H26BrN3O6
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)OC
InChI
InChI=1S/C27H26BrN3O6/c1-3-14-36-23-11-6-19(7-12-23)27(34)37-24-13-8-21(28)15-20(24)16-30-31-25(32)17-29-26(33)18-4-9-22(35-2)10-5-18/h4-13,15-16H,3,14,17H2,1-2H3,(H,29,33)(H,31,32)/b30-16+
InChIKey
LETLVTWLUODKAZ-OKCVXOCRSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.1005 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.10778 222.2
[M+Na]+ 590.08972 223.2
[M+NH4]+ 585.13432 222.3
[M+K]+ 606.06366 222.8
[M-H]- 566.09322 225.3
[M+Na-2H]- 588.07517 225.3
[M]+ 567.09995 221.7
[M]- 567.10105 221.7
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.