CID 215918

8-((7-chloro-1,4-benzodioxan-2-yl)methyl)-3-oxo-1-thia-4,8-diazaspiro(4.5)decane maleate

Structural Information

Molecular Formula
C16H19ClN2O3S
SMILES
C1CN(CCC12NC(=O)CS2)CC3COC4=C(O3)C=C(C=C4)Cl
InChI
InChI=1S/C16H19ClN2O3S/c17-11-1-2-13-14(7-11)22-12(9-21-13)8-19-5-3-16(4-6-19)18-15(20)10-23-16/h1-2,7,12H,3-6,8-10H2,(H,18,20)
InChIKey
QWDPQISGNCUNOD-UHFFFAOYSA-N
Compound name
8-[(6-chloro-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

354.0805 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08778 178.0
[M+Na]+ 377.06972 184.8
[M-H]- 353.07322 183.8
[M+NH4]+ 372.11432 191.2
[M+K]+ 393.04366 181.1
[M+H-H2O]+ 337.07776 171.1
[M+HCOO]- 399.07870 179.4
[M+CH3COO]- 413.09435 186.8
[M+Na-2H]- 375.05517 178.2
[M]+ 354.07995 175.8
[M]- 354.08105 175.8
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.