CID 464339

5-amino-2-phenylthiochromen-4-one

Structural Information

Molecular Formula
C15H11NOS
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC=C3S2)N
InChI
InChI=1S/C15H11NOS/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9H,16H2
InChIKey
DKXQGOMROKROJT-UHFFFAOYSA-N
Compound name
5-amino-2-phenylthiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.05614 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06342 152.5
[M+Na]+ 276.04536 162.7
[M-H]- 252.04886 160.4
[M+NH4]+ 271.08996 170.9
[M+K]+ 292.01930 156.5
[M+H-H2O]+ 236.05340 145.5
[M+HCOO]- 298.05434 172.1
[M+CH3COO]- 312.06999 165.6
[M+Na-2H]- 274.03081 158.0
[M]+ 253.05559 153.3
[M]- 253.05669 153.3
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.