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 165.7
[M+Na]+ 317.16579 170.0
[M-H]- 293.16929 160.1
[M+NH4]+ 312.21039 191.2
[M+K]+ 333.13973 166.6
[M+H-H2O]+ 277.17383 155.7
[M+HCOO]- 339.17477 162.1
[M+CH3COO]- 353.19042 172.5
[M+Na-2H]- 315.15124 175.2
[M]+ 294.17602 167.3
[M]- 294.17712 167.3
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.