CID 3073140

146772-47-6

Structural Information

Molecular Formula
C28H29NO3S
SMILES
COC1=CC=CC=C1CC(=O)N2CC3C(C2)S(=O)CCC3(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H29NO3S/c1-32-25-15-9-8-10-21(25)18-27(30)29-19-24-26(20-29)33(31)17-16-28(24,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,26H,16-20H2,1H3
InChIKey
BSCINZPACYGJKL-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-1-(1-oxo-4,4-diphenyl-2,3,4a,5,7,7a-hexahydrothiopyrano[2,3-c]pyrrol-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.18683 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.19411 209.2
[M+Na]+ 482.17605 223.4
[M+NH4]+ 477.22065 219.1
[M+K]+ 498.14999 211.9
[M-H]- 458.17955 217.2
[M+Na-2H]- 480.16150 219.5
[M]+ 459.18628 214.2
[M]- 459.18738 214.2
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.