CID 215921

Brn 1047533

Structural Information

Molecular Formula
C19H24N2O5S
SMILES
CN1C(=O)CSC12CCN(CC2)CCOC(=O)C3COC4=CC=CC=C4O3
InChI
InChI=1S/C19H24N2O5S/c1-20-17(22)13-27-19(20)6-8-21(9-7-19)10-11-24-18(23)16-12-25-14-4-2-3-5-15(14)26-16/h2-5,16H,6-13H2,1H3
InChIKey
GDGKDGWCJPRRFR-UHFFFAOYSA-N
Compound name
2-(4-methyl-3-oxo-1-thia-4,8-diazaspiro[4.5]decan-8-yl)ethyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.1406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14788 190.0
[M+Na]+ 415.12982 199.6
[M+NH4]+ 410.17442 197.9
[M+K]+ 431.10376 192.8
[M-H]- 391.13332 195.0
[M+Na-2H]- 413.11527 193.0
[M]+ 392.14005 193.2
[M]- 392.14115 193.2
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.