CID 135726493

300771-36-2

Structural Information

Molecular Formula
C21H17BrN2O3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N/N=C/C3=C(C=CC(=C3)Br)O
InChI
InChI=1S/C21H17BrN2O3/c22-18-8-11-20(25)17(12-18)13-23-24-21(26)14-27-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-13,25H,14H2,(H,24,26)/b23-13+
InChIKey
VWRZBICGXJOHKO-YDZHTSKRSA-N
Compound name
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.04224 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.04952 191.0
[M+Na]+ 447.03146 198.7
[M-H]- 423.03496 202.2
[M+NH4]+ 442.07606 203.4
[M+K]+ 463.00540 186.1
[M+H-H2O]+ 407.03950 186.7
[M+HCOO]- 469.04044 213.1
[M+CH3COO]- 483.05609 224.1
[M+Na-2H]- 445.01691 195.8
[M]+ 424.04169 209.7
[M]- 424.04279 209.7
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.