CID 66506

82-31-5

Structural Information

Molecular Formula
C22H18N2O4S
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)O)C=CC=C3S(=O)(=O)O
InChI
InChI=1S/C22H18N2O4S/c25-17-11-9-16(10-12-17)23-19-13-14-20(24-15-5-2-1-3-6-15)22-18(19)7-4-8-21(22)29(26,27)28/h1-14,23-25H,(H,26,27,28)
InChIKey
HDHZOKVESWSUET-UHFFFAOYSA-N
Compound name
8-anilino-5-(4-hydroxyanilino)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

406.09872 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10600 192.1
[M+Na]+ 429.08794 206.2
[M+NH4]+ 424.13254 199.3
[M+K]+ 445.06188 197.0
[M-H]- 405.09144 198.7
[M+Na-2H]- 427.07339 202.3
[M]+ 406.09817 196.5
[M]- 406.09927 196.5
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