CID 51060210

3-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H18BrClN2O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H18BrClN2O4/c27-25-22-7-2-1-5-18(22)10-13-23(25)33-16-24(31)30-29-15-17-4-3-6-21(14-17)34-26(32)19-8-11-20(28)12-9-19/h1-15H,16H2,(H,30,31)/b29-15+
InChIKey
WONJVFGIDDOCBD-WKULSOCRSA-N
Compound name
[3-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.01385 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.02113 217.1
[M+Na]+ 559.00307 225.4
[M-H]- 535.00657 229.8
[M+NH4]+ 554.04767 227.3
[M+K]+ 574.97701 212.6
[M+H-H2O]+ 519.01111 212.4
[M+HCOO]- 581.01205 233.4
[M+CH3COO]- 595.02770 243.7
[M+Na-2H]- 556.98852 220.6
[M]+ 536.01330 240.4
[M]- 536.01440 240.4
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.