CID 3055049

Brn 2755970

Structural Information

Molecular Formula
C16H13NO5
SMILES
C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C16H13NO5/c18-15(19)10-22-12-7-5-11(6-8-12)9-17-14-4-2-1-3-13(14)16(20)21/h1-9H,10H2,(H,18,19)(H,20,21)
InChIKey
UMUCSIMLOCYWRR-UHFFFAOYSA-N
Compound name
2-[[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 165.4
[M+Na]+ 322.06860 171.4
[M-H]- 298.07210 170.8
[M+NH4]+ 317.11320 178.9
[M+K]+ 338.04254 168.6
[M+H-H2O]+ 282.07664 157.2
[M+HCOO]- 344.07758 188.2
[M+CH3COO]- 358.09323 202.1
[M+Na-2H]- 320.05405 168.7
[M]+ 299.07883 167.0
[M]- 299.07993 167.0
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