CID 135411881

Chembl4556064

Structural Information

Molecular Formula
C16H14Br2N2O5
SMILES
COC1=CC(=C(C=C1)OCC(=O)N/N=C\C2=CC(=C(C(=C2)Br)O)O)Br
InChI
InChI=1S/C16H14Br2N2O5/c1-24-10-2-3-14(11(17)6-10)25-8-15(22)20-19-7-9-4-12(18)16(23)13(21)5-9/h2-7,21,23H,8H2,1H3,(H,20,22)/b19-7-
InChIKey
PQYNYNWMIKZQKT-GXHLCREISA-N
Compound name
N-[(Z)-(3-bromo-4,5-dihydroxyphenyl)methylideneamino]-2-(2-bromo-4-methoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

471.92694 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.93422 176.0
[M+Na]+ 494.91616 183.6
[M-H]- 470.91966 183.3
[M+NH4]+ 489.96076 187.8
[M+K]+ 510.89010 167.9
[M+H-H2O]+ 454.92420 179.8
[M+HCOO]- 516.92514 191.3
[M+CH3COO]- 530.94079 229.3
[M+Na-2H]- 492.90161 179.0
[M]+ 471.92639 211.3
[M]- 471.92749 211.3
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

patents stripe