CID 45055209

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

Structural Information

Molecular Formula
C25H22Br2N2O5
SMILES
CCCOC1=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/C25H22Br2N2O5/c1-2-13-32-21-8-3-17(4-9-21)25(31)34-23-12-7-20(27)14-18(23)15-28-29-24(30)16-33-22-10-5-19(26)6-11-22/h3-12,14-15H,2,13,16H2,1H3,(H,29,30)/b28-15+
InChIKey
VXZPPXQVMCQKIM-RWPZCVJISA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

587.98956 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.99684 207.2
[M+Na]+ 610.97878 212.1
[M-H]- 586.98228 217.7
[M+NH4]+ 606.02338 215.5
[M+K]+ 626.95272 197.6
[M+H-H2O]+ 570.98682 209.8
[M+HCOO]- 632.98776 222.7
[M+CH3COO]- 647.00341 248.1
[M+Na-2H]- 608.96423 208.4
[M]+ 587.98901 244.1
[M]- 587.99011 244.1
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.