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 178.4
[M+Na]+ 373.11926 183.9
[M-H]- 349.12276 184.0
[M+NH4]+ 368.16386 190.7
[M+K]+ 389.09320 181.8
[M+H-H2O]+ 333.12730 170.8
[M+HCOO]- 395.12824 184.3
[M+CH3COO]- 409.14389 187.0
[M+Na-2H]- 371.10471 179.0
[M]+ 350.12949 175.9
[M]- 350.13059 175.9
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

patents stripe