CID 464338

6-amino-2-phenylthiochromen-4-one

Structural Information

Molecular Formula
C15H11NOS
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(S2)C=CC(=C3)N
InChI
InChI=1S/C15H11NOS/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H,16H2
InChIKey
YXHOFCMMUHPVEW-UHFFFAOYSA-N
Compound name
6-amino-2-phenylthiochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

253.05614 Da
Monoisotopic Mass

3.0
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

patents stripe