CID 3055053

Brn 2989737

Structural Information

Molecular Formula
C15H12BrNO3
SMILES
COC1=CC(=C(C=C1)Br)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H12BrNO3/c1-20-13-6-7-14(16)11(8-13)9-17-12-4-2-10(3-5-12)15(18)19/h2-9H,1H3,(H,18,19)
InChIKey
PTZJMPORHCWUAO-UHFFFAOYSA-N
Compound name
4-[(2-bromo-5-methoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.00006 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00734 164.3
[M+Na]+ 355.98928 168.4
[M+NH4]+ 351.03388 168.1
[M+K]+ 371.96322 167.8
[M-H]- 331.99278 166.6
[M+Na-2H]- 353.97473 169.1
[M]+ 332.99951 164.3
[M]- 333.00061 164.3
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.