CID 5189428

Schembl133377

Structural Information

Molecular Formula
C24H25O3S
SMILES
CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,18H2,1-3H3/q+1
InChIKey
FLVJCWKJUGNAFO-UHFFFAOYSA-N
Compound name
[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1558
Patents

393.15244 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.15972 199.3
[M+Na]+ 416.14166 203.3
[M-H]- 392.14516 208.4
[M+NH4]+ 411.18626 209.8
[M+K]+ 432.11560 193.2
[M+H-H2O]+ 376.14970 192.4
[M+HCOO]- 438.15064 213.4
[M+CH3COO]- 452.16629 211.6
[M+Na-2H]- 414.12711 202.0
[M]+ 393.15189 201.7
[M]- 393.15299 201.7
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

patents stripe