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]+ 351.210076 184.7
[M+Na]+ 373.192018 190.1
[M-H]- 349.195524 186.4
[M+NH4]+ 368.236623 199.1
[M+K]+ 389.165958 185.3
[M+H-H2O]+ 333.200060 176.5
[M+HCOO]- 395.201001 191.2
[M+CH3COO]- 409.216651 212.5
[M+Na-2H]- 371.177466 187.1
[M]+ 350.20225142 185.0
[M]- 350.20334858 185.0
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.