CID 215977

36913-71-0

Structural Information

Molecular Formula
C17H22N2O4S
SMILES
COC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)NC(=O)CS4
InChI
InChI=1S/C17H22N2O4S/c1-21-13-3-2-4-14-16(13)23-12(10-22-14)9-19-7-5-17(6-8-19)18-15(20)11-24-17/h2-4,12H,5-11H2,1H3,(H,18,20)
InChIKey
ROJLMDIDSAMJGD-UHFFFAOYSA-N
Compound name
8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)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

350.13004 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13732 179.8
[M+Na]+ 373.11926 190.2
[M+NH4]+ 368.16386 188.7
[M+K]+ 389.09320 182.8
[M-H]- 349.12276 185.3
[M+Na-2H]- 371.10471 183.4
[M]+ 350.12949 183.3
[M]- 350.13059 183.3
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.