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 165.4
[M+Na]+ 355.98928 175.9
[M-H]- 331.99278 174.7
[M+NH4]+ 351.03388 182.5
[M+K]+ 371.96322 164.4
[M+H-H2O]+ 315.99732 163.4
[M+HCOO]- 377.99826 187.6
[M+CH3COO]- 392.01391 206.9
[M+Na-2H]- 353.97473 170.7
[M]+ 332.99951 185.7
[M]- 333.00061 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.