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]+ 334.007336 165.4
[M+Na]+ 355.989278 175.9
[M-H]- 331.992784 174.7
[M+NH4]+ 351.033883 182.5
[M+K]+ 371.963218 164.4
[M+H-H2O]+ 315.997320 163.4
[M+HCOO]- 377.998261 187.6
[M+CH3COO]- 392.013911 206.9
[M+Na-2H]- 353.974726 170.7
[M]+ 332.99951142 185.7
[M]- 333.00060858 185.7
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.