CID 209075

19189-62-9

Structural Information

Molecular Formula
C19H24O7S
SMILES
CC1(OC[C@@H](O1)[C@@H]2[C@@H](C3C(O2)OC(O3)(C)C)OC(=S)OC4=CC=CC=C4)C
InChI
InChI=1S/C19H24O7S/c1-18(2)20-10-12(24-18)13-14(15-16(22-13)26-19(3,4)25-15)23-17(27)21-11-8-6-5-7-9-11/h5-9,12-16H,10H2,1-4H3/t12-,13-,14+,15?,16?/m1/s1
InChIKey
BFFWPJKWWPHHRN-OXLPJUHDSA-N
Compound name
[(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-phenoxymethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.12427 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.13155 183.7
[M+Na]+ 419.11349 192.0
[M+NH4]+ 414.15809 192.7
[M+K]+ 435.08743 190.1
[M-H]- 395.11699 192.3
[M+Na-2H]- 417.09894 186.0
[M]+ 396.12372 188.0
[M]- 396.12482 188.0
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.