CID 51060294

4-bromo-2-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H20Br2N2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br
InChI
InChI=1S/C27H20Br2N2O5/c1-34-21-10-6-18(7-11-21)27(33)36-23-13-9-20(28)14-19(23)15-30-31-25(32)16-35-24-12-8-17-4-2-3-5-22(17)26(24)29/h2-15H,16H2,1H3,(H,31,32)/b30-15+
InChIKey
XVOFSKUEJAKZAI-FJEPWZHXSA-N
Compound name
[4-bromo-2-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.9739 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.981176 213.1
[M+Na]+ 632.963118 218.1
[M-H]- 608.966624 224.3
[M+NH4]+ 628.007723 221.2
[M+K]+ 648.937058 204.7
[M+H-H2O]+ 592.971160 215.8
[M+HCOO]- 654.972101 227.4
[M+CH3COO]- 668.987751 251.8
[M+Na-2H]- 630.948566 215.1
[M]+ 609.97335142 249.4
[M]- 609.97444858 249.4
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.