CID 3078261

3-butyl-7-((5-chloro-2-thienyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane

Structural Information

Molecular Formula
C17H27ClN2O2S2
SMILES
CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C17H27ClN2O2S2/c1-4-5-8-19-9-13-11-20(12-14(10-19)17(13,2)3)24(21,22)16-7-6-15(18)23-16/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKey
RLXPJELSVLXTQC-UHFFFAOYSA-N
Compound name
3-butyl-7-(5-chlorothiophen-2-yl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.12024 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12752 189.7
[M+Na]+ 413.10946 199.5
[M+NH4]+ 408.15406 199.0
[M+K]+ 429.08340 188.7
[M-H]- 389.11296 190.5
[M+Na-2H]- 411.09491 192.3
[M]+ 390.11969 192.7
[M]- 390.12079 192.7
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.