CID 3076953

Methanone, (4,5-diphenyl-2-thienyl)(5-methoxy-2-methyl-3-benzofuranyl)-

Structural Information

Molecular Formula
C27H20O3S
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OC)C(=O)C3=CC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H20O3S/c1-17-25(22-15-20(29-2)13-14-23(22)30-17)26(28)24-16-21(18-9-5-3-6-10-18)27(31-24)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKey
TVUFZOHCSJJYMN-UHFFFAOYSA-N
Compound name
(4,5-diphenylthiophen-2-yl)-(5-methoxy-2-methyl-1-benzofuran-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.1133 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.12058 200.0
[M+Na]+ 447.10252 217.9
[M+NH4]+ 442.14712 209.7
[M+K]+ 463.07646 209.7
[M-H]- 423.10602 210.8
[M+Na-2H]- 445.08797 210.9
[M]+ 424.11275 206.6
[M]- 424.11385 206.6
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.