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]+ 610.98118 213.1
[M+Na]+ 632.96312 218.1
[M-H]- 608.96662 224.3
[M+NH4]+ 628.00772 221.2
[M+K]+ 648.93706 204.7
[M+H-H2O]+ 592.97116 215.8
[M+HCOO]- 654.97210 227.4
[M+CH3COO]- 668.98775 251.8
[M+Na-2H]- 630.94857 215.1
[M]+ 609.97335 249.4
[M]- 609.97445 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.