CID 5274464

3-hydroxy-2-(4-methoxyphenyl)thieno[2,3-h]chromen-4-one

Structural Information

Molecular Formula
C18H12O4S
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)SC=C4)O
InChI
InChI=1S/C18H12O4S/c1-21-11-4-2-10(3-5-11)17-16(20)15(19)13-6-7-14-12(8-9-23-14)18(13)22-17/h2-9,20H,1H3
InChIKey
IJAYUZIPWHOAFF-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(4-methoxyphenyl)thieno[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.04562 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05290 170.1
[M+Na]+ 347.03484 183.2
[M-H]- 323.03834 180.1
[M+NH4]+ 342.07944 187.5
[M+K]+ 363.00878 178.9
[M+H-H2O]+ 307.04288 164.2
[M+HCOO]- 369.04382 188.7
[M+CH3COO]- 383.05947 183.7
[M+Na-2H]- 345.02029 174.9
[M]+ 324.04507 178.7
[M]- 324.04617 178.7
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.