CID 3055057

Brn 2994075

Structural Information

Molecular Formula
C16H13NO5
SMILES
C1=CC(=CC=C1C=NC2=CC=C(C=C2)C(=O)O)OCC(=O)O
InChI
InChI=1S/C16H13NO5/c18-15(19)10-22-14-7-1-11(2-8-14)9-17-13-5-3-12(4-6-13)16(20)21/h1-9H,10H2,(H,18,19)(H,20,21)
InChIKey
YSGQJPINLPYHSX-UHFFFAOYSA-N
Compound name
4-[[4-(carboxymethoxy)phenyl]methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.07938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 167.1
[M+Na]+ 322.06860 178.5
[M+NH4]+ 317.11320 172.5
[M+K]+ 338.04254 173.5
[M-H]- 298.07210 169.2
[M+Na-2H]- 320.05405 173.6
[M]+ 299.07883 168.9
[M]- 299.07993 168.9
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