CID 961439

4-(2-methoxybenzylideneamino)benzoic acid

Structural Information

Molecular Formula
C15H13NO3
SMILES
COC1=CC=CC=C1C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H13NO3/c1-19-14-5-3-2-4-12(14)10-16-13-8-6-11(7-9-13)15(17)18/h2-10H,1H3,(H,17,18)
InChIKey
QUXIIRLGUZOXFR-UHFFFAOYSA-N
Compound name
4-[(2-methoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

255.08954 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.096816 156.0
[M+Na]+ 278.078758 163.3
[M-H]- 254.082264 163.0
[M+NH4]+ 273.123363 172.4
[M+K]+ 294.052698 160.2
[M+H-H2O]+ 238.086800 148.1
[M+HCOO]- 300.087741 181.1
[M+CH3COO]- 314.103391 196.9
[M+Na-2H]- 276.064206 161.2
[M]+ 255.08899142 157.6
[M]- 255.09008858 157.6
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

patents stripe