CID 5156734

303065-46-5

Structural Information

Molecular Formula
C15H13BrN2O3
SMILES
COC1=C(C=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)Br)O
InChI
InChI=1S/C15H13BrN2O3/c1-21-14-6-5-10(7-13(14)19)9-17-18-15(20)11-3-2-4-12(16)8-11/h2-9,19H,1H3,(H,18,20)
InChIKey
FIHAPRBTCJONEB-UHFFFAOYSA-N
Compound name
3-bromo-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.01096 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.018236 168.9
[M+Na]+ 371.000178 178.5
[M-H]- 347.003684 178.0
[M+NH4]+ 366.044783 185.0
[M+K]+ 386.974118 166.7
[M+H-H2O]+ 331.008220 166.0
[M+HCOO]- 393.009161 191.9
[M+CH3COO]- 407.024811 211.1
[M+Na-2H]- 368.985626 174.5
[M]+ 348.01041142 188.3
[M]- 348.01150858 188.3
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

No patent data available for this compound.