CID 3078273

120466-51-5

Structural Information

Molecular Formula
C19H30N2O2S
SMILES
CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H30N2O2S/c1-4-5-11-20-12-16-14-21(15-17(13-20)19(16,2)3)24(22,23)18-9-7-6-8-10-18/h6-10,16-17H,4-5,11-15H2,1-3H3
InChIKey
NLZUEYZBWYHFFK-UHFFFAOYSA-N
Compound name
3-(benzenesulfonyl)-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.21008 184.4
[M+Na]+ 373.19202 195.5
[M+NH4]+ 368.23662 193.4
[M+K]+ 389.16596 184.5
[M-H]- 349.19552 186.0
[M+Na-2H]- 371.17747 189.3
[M]+ 350.20225 187.1
[M]- 350.20335 187.1
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

No patent data available for this compound.