CID 687887

4-(benzylideneamino)benzoic acid

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H11NO2/c16-14(17)12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-10H,(H,16,17)
InChIKey
MREPJQZHXSDMKL-UHFFFAOYSA-N
Compound name
4-(benzylideneamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

44
Patents

225.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 150.1
[M+Na]+ 248.06820 164.0
[M+NH4]+ 243.11280 158.5
[M+K]+ 264.04214 156.4
[M-H]- 224.07170 154.8
[M+Na-2H]- 246.05365 159.8
[M]+ 225.07843 153.4
[M]- 225.07953 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe