CID 482413

6-[n-(4-hydroxyphenyl)amino]-7-methylthio-5,8-quinolinedione

Structural Information

Molecular Formula
C16H12N2O3S
SMILES
CSC1=C(C(=O)C2=C(C1=O)N=CC=C2)NC3=CC=C(C=C3)O
InChI
InChI=1S/C16H12N2O3S/c1-22-16-13(18-9-4-6-10(19)7-5-9)14(20)11-3-2-8-17-12(11)15(16)21/h2-8,18-19H,1H3
InChIKey
GYOUWXYXMWXHBI-UHFFFAOYSA-N
Compound name
6-(4-hydroxyanilino)-7-methylsulfanylquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.05685 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06413 167.9
[M+Na]+ 335.04607 177.6
[M-H]- 311.04957 173.5
[M+NH4]+ 330.09067 182.1
[M+K]+ 351.02001 171.5
[M+H-H2O]+ 295.05411 160.0
[M+HCOO]- 357.05505 184.0
[M+CH3COO]- 371.07070 179.1
[M+Na-2H]- 333.03152 171.6
[M]+ 312.05630 170.2
[M]- 312.05740 170.2
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

No patent data available for this compound.