CID 16740480

3-amino-2-(phenylamino)benzoic acid

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1=CC=C(C=C1)NC2=C(C=CC=C2N)C(=O)O
InChI
InChI=1S/C13H12N2O2/c14-11-8-4-7-10(13(16)17)12(11)15-9-5-2-1-3-6-9/h1-8,15H,14H2,(H,16,17)
InChIKey
BIBXBQMYVSAURA-UHFFFAOYSA-N
Compound name
3-amino-2-anilinobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

228.08987 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.097146 149.1
[M+Na]+ 251.079088 155.8
[M-H]- 227.082594 154.5
[M+NH4]+ 246.123693 165.4
[M+K]+ 267.053028 151.9
[M+H-H2O]+ 211.087130 141.8
[M+HCOO]- 273.088071 173.4
[M+CH3COO]- 287.103721 192.4
[M+Na-2H]- 249.064536 154.4
[M]+ 228.08932142 145.9
[M]- 228.09041858 145.9
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