CID 54687977

Chembl338554

Structural Information

Molecular Formula
C24H20O3S
SMILES
CC1=CC=CC=C1SC2=C(CC(OC2=O)(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C24H20O3S/c1-17-10-8-9-15-21(17)28-22-20(25)16-24(27-23(22)26,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-15,25H,16H2,1H3
InChIKey
QOKSBAIPMPDZKJ-UHFFFAOYSA-N
Compound name
4-hydroxy-5-(2-methylphenyl)sulfanyl-2,2-diphenyl-3H-pyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1133 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12058 192.8
[M+Na]+ 411.10252 200.4
[M-H]- 387.10602 204.8
[M+NH4]+ 406.14712 204.1
[M+K]+ 427.07646 194.9
[M+H-H2O]+ 371.11056 183.0
[M+HCOO]- 433.11150 207.2
[M+CH3COO]- 447.12715 202.6
[M+Na-2H]- 409.08797 194.7
[M]+ 388.11275 193.5
[M]- 388.11385 193.5
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.