CID 212739

24798-36-5

Structural Information

Molecular Formula
C18H24N2O3S
SMILES
CN1C(=O)CSC12CCN(CC2)CCC3COC4=CC=CC=C4O3
InChI
InChI=1S/C18H24N2O3S/c1-19-17(21)13-24-18(19)7-10-20(11-8-18)9-6-14-12-22-15-4-2-3-5-16(15)23-14/h2-5,14H,6-13H2,1H3
InChIKey
NRRXWQMPRAMBPT-UHFFFAOYSA-N
Compound name
8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-4-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.15076 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.15804 181.0
[M+Na]+ 371.13998 192.3
[M+NH4]+ 366.18458 190.7
[M+K]+ 387.11392 183.8
[M-H]- 347.14348 187.5
[M+Na-2H]- 369.12543 185.3
[M]+ 348.15021 185.0
[M]- 348.15131 185.0
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.