CID 54687986

4-hydroxy-5-(2-isopropylphenyl)sulfanyl-2-phenyl-2,3-dihydropyran-6-one

Structural Information

Molecular Formula
C20H20O3S
SMILES
CC(C)C1=CC=CC=C1SC2=C(CC(OC2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C20H20O3S/c1-13(2)15-10-6-7-11-18(15)24-19-16(21)12-17(23-20(19)22)14-8-4-3-5-9-14/h3-11,13,17,21H,12H2,1-2H3
InChIKey
QUMDZWVXKKWNRC-UHFFFAOYSA-N
Compound name
4-hydroxy-2-phenyl-5-(2-propan-2-ylphenyl)sulfanyl-2,3-dihydropyran-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.1133 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12058 179.1
[M+Na]+ 363.10252 185.7
[M-H]- 339.10602 188.2
[M+NH4]+ 358.14712 191.0
[M+K]+ 379.07646 181.4
[M+H-H2O]+ 323.11056 170.9
[M+HCOO]- 385.11150 192.5
[M+CH3COO]- 399.12715 208.8
[M+Na-2H]- 361.08797 178.5
[M]+ 340.11275 180.4
[M]- 340.11385 180.4
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.