CID 3078250

120465-77-2

Structural Information

Molecular Formula
C19H28Cl2N2O2S
SMILES
CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C19H28Cl2N2O2S/c1-4-5-6-22-10-14-12-23(13-15(11-22)19(14,2)3)26(24,25)18-8-16(20)7-17(21)9-18/h7-9,14-15H,4-6,10-13H2,1-3H3
InChIKey
HQWVGZPVGOQBDE-UHFFFAOYSA-N
Compound name
3-butyl-7-(3,5-dichlorophenyl)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

418.12485 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13213 194.0
[M+Na]+ 441.11407 201.8
[M-H]- 417.11757 195.9
[M+NH4]+ 436.15867 207.6
[M+K]+ 457.08801 195.2
[M+H-H2O]+ 401.12211 187.7
[M+HCOO]- 463.12305 191.1
[M+CH3COO]- 477.13870 222.4
[M+Na-2H]- 439.09952 194.3
[M]+ 418.12430 198.1
[M]- 418.12540 198.1
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.