CID 71751

Prifelone

Structural Information

Molecular Formula
C19H24O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CC=CS2
InChI
InChI=1S/C19H24O2S/c1-18(2,3)13-10-12(16(20)15-8-7-9-22-15)11-14(17(13)21)19(4,5)6/h7-11,21H,1-6H3
InChIKey
WAAVMZLJRXYRMA-UHFFFAOYSA-N
Compound name
(3,5-ditert-butyl-4-hydroxyphenyl)-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3156
Patents

316.1497 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15698 179.4
[M+Na]+ 339.13892 190.2
[M+NH4]+ 334.18352 186.8
[M+K]+ 355.11286 184.7
[M-H]- 315.14242 181.4
[M+Na-2H]- 337.12437 184.4
[M]+ 316.14915 182.2
[M]- 316.15025 182.2
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

patents stripe