CID 16740481

893613-05-3

Structural Information

Molecular Formula
C19H16N2O2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC3=C(C=CC=C3N)C(=O)O
InChI
InChI=1S/C19H16N2O2/c20-16-11-6-10-15(19(22)23)18(16)21-17-12-5-4-9-14(17)13-7-2-1-3-8-13/h1-12,21H,20H2,(H,22,23)
InChIKey
ITZDTEMQHMKVFN-UHFFFAOYSA-N
Compound name
3-amino-2-(2-phenylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1212 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 173.2
[M+Na]+ 327.11042 187.5
[M+NH4]+ 322.15502 181.1
[M+K]+ 343.08436 179.6
[M-H]- 303.11392 180.5
[M+Na-2H]- 325.09587 183.8
[M]+ 304.12065 177.3
[M]- 304.12175 177.3
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.