CID 3078260

9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-3,7-diazabicyclo(3.3.1)nonane

Structural Information

Molecular Formula
C15H24N2O2S2
SMILES
CCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=CS3
InChI
InChI=1S/C15H24N2O2S2/c1-4-16-8-12-10-17(11-13(9-16)15(12,2)3)21(18,19)14-6-5-7-20-14/h5-7,12-13H,4,8-11H2,1-3H3
InChIKey
RLDCKILNAFPIFQ-UHFFFAOYSA-N
Compound name
3-ethyl-9,9-dimethyl-7-thiophen-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.12793 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13521 174.7
[M+Na]+ 351.11715 182.2
[M-H]- 327.12065 176.9
[M+NH4]+ 346.16175 192.5
[M+K]+ 367.09109 177.8
[M+H-H2O]+ 311.12519 169.6
[M+HCOO]- 373.12613 178.6
[M+CH3COO]- 387.14178 204.8
[M+Na-2H]- 349.10260 175.6
[M]+ 328.12738 176.2
[M]- 328.12848 176.2
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.