CID 3078271

7-benzyl-3-((thienyl-2-yl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane tartrate

Structural Information

Molecular Formula
C20H26N2O2S2
SMILES
CC1(C2CN(CC1CN(C2)S(=O)(=O)C3=CC=CS3)CC4=CC=CC=C4)C
InChI
InChI=1S/C20H26N2O2S2/c1-20(2)17-12-21(11-16-7-4-3-5-8-16)13-18(20)15-22(14-17)26(23,24)19-9-6-10-25-19/h3-10,17-18H,11-15H2,1-2H3
InChIKey
MVMHAUJSOGVMEV-UHFFFAOYSA-N
Compound name
3-benzyl-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

4
Patents

390.1436 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15088 187.3
[M+Na]+ 413.13282 198.5
[M+NH4]+ 408.17742 197.2
[M+K]+ 429.10676 187.4
[M-H]- 389.13632 190.9
[M+Na-2H]- 411.11827 193.8
[M]+ 390.14305 191.1
[M]- 390.14415 191.1
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

patents stripe