CID 80789

2-[[4-[(4-hydroxyphenyl)amino]phenyl]amino]benzoic acid

Structural Information

Molecular Formula
C19H16N2O3
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)NC3=CC=C(C=C3)O
InChI
InChI=1S/C19H16N2O3/c22-16-11-9-14(10-12-16)20-13-5-7-15(8-6-13)21-18-4-2-1-3-17(18)19(23)24/h1-12,20-22H,(H,23,24)
InChIKey
GPQHBELCRDGQQZ-UHFFFAOYSA-N
Compound name
2-[4-(4-hydroxyanilino)anilino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1161 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.123376 172.5
[M+Na]+ 343.105318 177.9
[M-H]- 319.108824 179.8
[M+NH4]+ 338.149923 184.0
[M+K]+ 359.079258 172.6
[M+H-H2O]+ 303.113360 163.4
[M+HCOO]- 365.114301 195.2
[M+CH3COO]- 379.129951 208.4
[M+Na-2H]- 341.090766 177.2
[M]+ 320.11555142 169.7
[M]- 320.11664858 169.7
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.