CID 5274465

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

Structural Information

Molecular Formula
C18H12O3S
SMILES
COC1=C(OC2=C(C1=O)C=CC3=C2C=CS3)C4=CC=CC=C4
InChI
InChI=1S/C18H12O3S/c1-20-18-15(19)13-7-8-14-12(9-10-22-14)17(13)21-16(18)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
DBUYIOYCBUXFSH-UHFFFAOYSA-N
Compound name
3-methoxy-2-phenylthieno[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.05072 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05800 166.9
[M+Na]+ 331.03994 180.0
[M-H]- 307.04344 178.0
[M+NH4]+ 326.08454 185.6
[M+K]+ 347.01388 175.8
[M+H-H2O]+ 291.04798 160.8
[M+HCOO]- 353.04892 187.0
[M+CH3COO]- 367.06457 181.2
[M+Na-2H]- 329.02539 172.5
[M]+ 308.05017 175.5
[M]- 308.05127 175.5
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.