CID 118167

23843-87-0

Structural Information

Molecular Formula
C16H15NO5
SMILES
COC(=O)C1=C(C=CC(=C1)C(C2=CC(=CC=C2)N)O)C(=O)O
InChI
InChI=1S/C16H15NO5/c1-22-16(21)13-8-10(5-6-12(13)15(19)20)14(18)9-3-2-4-11(17)7-9/h2-8,14,18H,17H2,1H3,(H,19,20)
InChIKey
UQOAIHHWBIPKJW-UHFFFAOYSA-N
Compound name
4-[(3-aminophenyl)-hydroxymethyl]-2-methoxycarbonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09503 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10231 168.2
[M+Na]+ 324.08425 178.8
[M+NH4]+ 319.12885 173.3
[M+K]+ 340.05819 175.4
[M-H]- 300.08775 169.8
[M+Na-2H]- 322.06970 173.1
[M]+ 301.09448 169.8
[M]- 301.09558 169.8
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.