CID 377400

5-mercapto-2-phenyl-4-quinolone

Structural Information

Molecular Formula
C15H11NOS
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC=C3S
InChI
InChI=1S/C15H11NOS/c17-13-9-12(10-5-2-1-3-6-10)16-11-7-4-8-14(18)15(11)13/h1-9,18H,(H,16,17)
InChIKey
XDXDOSAYNRPOIS-UHFFFAOYSA-N
Compound name
2-phenyl-5-sulfanyl-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.05614 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06342 152.8
[M+Na]+ 276.04536 163.6
[M-H]- 252.04886 158.6
[M+NH4]+ 271.08996 169.9
[M+K]+ 292.01930 156.8
[M+H-H2O]+ 236.05340 145.6
[M+HCOO]- 298.05434 169.4
[M+CH3COO]- 312.06999 165.4
[M+Na-2H]- 274.03081 158.3
[M]+ 253.05559 154.0
[M]- 253.05669 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.