CID 80890

6421-80-3

Structural Information

Molecular Formula
C18H16N2O4S
SMILES
C1=CC(=CC=C1NC2=CC=C(C=C2)O)NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C18H16N2O4S/c21-17-9-5-15(6-10-17)19-13-1-3-14(4-2-13)20-16-7-11-18(12-8-16)25(22,23)24/h1-12,19-21H,(H,22,23,24)
InChIKey
SLPOAOGIPUBKLV-UHFFFAOYSA-N
Compound name
4-[4-(4-hydroxyanilino)anilino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.08307 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.090346 178.4
[M+Na]+ 379.072288 185.0
[M-H]- 355.075794 185.7
[M+NH4]+ 374.116893 189.1
[M+K]+ 395.046228 178.7
[M+H-H2O]+ 339.080330 169.8
[M+HCOO]- 401.081271 196.2
[M+CH3COO]- 415.096921 210.3
[M+Na-2H]- 377.057736 183.9
[M]+ 356.08252142 178.2
[M]- 356.08361858 178.2
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