CID 3075665

2',2',5,7-tetramethyl-6-oxospiro(1,3-diazaadamantane-2,4'-tetrahydrothiopyrane)

Structural Information

Molecular Formula
C16H26N2OS
SMILES
CC1(CC2(CCS1)N3CC4(CN2CC(C3)(C4=O)C)C)C
InChI
InChI=1S/C16H26N2OS/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h5-11H2,1-4H3
InChIKey
HCFPLHLEAOWZHI-UHFFFAOYSA-N
Compound name
2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-thiane]-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17657 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18385 173.6
[M+Na]+ 317.16579 182.4
[M+NH4]+ 312.21039 189.7
[M+K]+ 333.13973 165.9
[M-H]- 293.16929 172.1
[M+Na-2H]- 315.15124 174.7
[M]+ 294.17602 175.6
[M]- 294.17712 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.