CID 45055247

4-bromo-2-(2-((4-bromophenoxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C23H18Br2N2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H18Br2N2O5/c1-30-19-7-2-15(3-8-19)23(29)32-21-11-6-18(25)12-16(21)13-26-27-22(28)14-31-20-9-4-17(24)5-10-20/h2-13H,14H2,1H3,(H,27,28)/b26-13+
InChIKey
GMWKBIUKUCMSON-LGJNPRDNSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.95825 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.96553 199.4
[M+Na]+ 582.94747 205.0
[M-H]- 558.95097 210.3
[M+NH4]+ 577.99207 208.6
[M+K]+ 598.92141 190.9
[M+H-H2O]+ 542.95551 202.4
[M+HCOO]- 604.95645 215.4
[M+CH3COO]- 618.97210 243.8
[M+Na-2H]- 580.93292 201.5
[M]+ 559.95770 235.9
[M]- 559.95880 235.9
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.