CID 3078263

9,9-dimethyl-3-(1-methylethyl)-7-(2-thienylsulfonyl)-3,7-diazabicyclo(3.3.1)nonane

Structural Information

Molecular Formula
C16H26N2O2S2
SMILES
CC(C)N1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=CS3
InChI
InChI=1S/C16H26N2O2S2/c1-12(2)17-8-13-10-18(11-14(9-17)16(13,3)4)22(19,20)15-6-5-7-21-15/h5-7,12-14H,8-11H2,1-4H3
InChIKey
BUWBZGORDKJBLO-UHFFFAOYSA-N
Compound name
9,9-dimethyl-3-propan-2-yl-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

342.1436 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15088 178.2
[M+Na]+ 365.13282 184.8
[M-H]- 341.13632 180.2
[M+NH4]+ 360.17742 195.3
[M+K]+ 381.10676 180.8
[M+H-H2O]+ 325.14086 173.2
[M+HCOO]- 387.14180 180.6
[M+CH3COO]- 401.15745 208.5
[M+Na-2H]- 363.11827 177.9
[M]+ 342.14305 179.5
[M]- 342.14415 179.5
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.