CID 16740481

3-amino-2-(biphenyl-2-ylamino)benzoic acid

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 170.4
[M+Na]+ 327.11042 176.6
[M-H]- 303.11392 178.6
[M+NH4]+ 322.15502 183.2
[M+K]+ 343.08436 170.9
[M+H-H2O]+ 287.11846 161.4
[M+HCOO]- 349.11940 193.9
[M+CH3COO]- 363.13505 207.9
[M+Na-2H]- 325.09587 174.4
[M]+ 304.12065 167.1
[M]- 304.12175 167.1
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.