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 180.1
[M+Na]+ 371.13998 185.9
[M-H]- 347.14348 186.9
[M+NH4]+ 366.18458 193.3
[M+K]+ 387.11392 183.8
[M+H-H2O]+ 331.14802 172.0
[M+HCOO]- 393.14896 187.0
[M+CH3COO]- 407.16461 189.1
[M+Na-2H]- 369.12543 180.0
[M]+ 348.15021 178.2
[M]- 348.15131 178.2
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.