CID 135454343

300826-46-4

Structural Information

Molecular Formula
C16H15BrN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Br)O
InChI
InChI=1S/C16H15BrN2O4/c1-22-15-8-11(2-7-14(15)20)9-18-19-16(21)10-23-13-5-3-12(17)4-6-13/h2-9,20H,10H2,1H3,(H,19,21)/b18-9+
InChIKey
BLRJGSMXQQOLIF-GIJQJNRQSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0215 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.02878 175.6
[M+Na]+ 401.01072 184.3
[M-H]- 377.01422 184.3
[M+NH4]+ 396.05532 190.3
[M+K]+ 416.98466 173.0
[M+H-H2O]+ 361.01876 172.0
[M+HCOO]- 423.01970 198.3
[M+CH3COO]- 437.03535 216.0
[M+Na-2H]- 398.99617 180.7
[M]+ 378.02095 196.5
[M]- 378.02205 196.5
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.