CID 51060279

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

Structural Information

Molecular Formula
C24H20Br2N2O5
SMILES
CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H20Br2N2O5/c1-15(32-21-10-5-18(25)6-11-21)23(29)28-27-14-17-13-19(26)7-12-22(17)33-24(30)16-3-8-20(31-2)9-4-16/h3-15H,1-2H3,(H,28,29)/b27-14+
InChIKey
RFDCWUOWSIPXLJ-MZJWZYIUSA-N
Compound name
[4-bromo-2-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.9739 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.98118 204.1
[M+Na]+ 596.96312 209.0
[M-H]- 572.96662 214.9
[M+NH4]+ 592.00772 212.7
[M+K]+ 612.93706 195.2
[M+H-H2O]+ 556.97116 206.9
[M+HCOO]- 618.97210 219.1
[M+CH3COO]- 632.98775 246.6
[M+Na-2H]- 594.94857 204.8
[M]+ 573.97335 240.3
[M]- 573.97445 240.3
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.