CID 5274463

3-hydroxy-2-phenyl-thieno[2,3-h]chromen-4-one

Structural Information

Molecular Formula
C17H10O3S
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)SC=C4)O
InChI
InChI=1S/C17H10O3S/c18-14-12-6-7-13-11(8-9-21-13)17(12)20-16(15(14)19)10-4-2-1-3-5-10/h1-9,19H
InChIKey
HOMNYOTZQYOGDK-UHFFFAOYSA-N
Compound name
3-hydroxy-2-phenylthieno[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.03506 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04234 161.8
[M+Na]+ 317.02428 175.0
[M-H]- 293.02778 171.7
[M+NH4]+ 312.06888 180.4
[M+K]+ 332.99822 170.1
[M+H-H2O]+ 277.03232 156.3
[M+HCOO]- 339.03326 180.8
[M+CH3COO]- 353.04891 175.9
[M+Na-2H]- 315.00973 167.7
[M]+ 294.03451 168.4
[M]- 294.03561 168.4
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.