CID 3078278

3-((4-bromophenyl)sulfonyl)-7-methyl-3,7-diazabicyclo(3.3.1)nonane

Structural Information

Molecular Formula
C14H19BrN2O2S
SMILES
CN1CC2CC(C1)CN(C2)S(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H19BrN2O2S/c1-16-7-11-6-12(8-16)10-17(9-11)20(18,19)14-4-2-13(15)3-5-14/h2-5,11-12H,6-10H2,1H3
InChIKey
YHOKPNCAYFIDLZ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)sulfonyl-7-methyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.03506 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.04234 166.1
[M+Na]+ 381.02428 176.0
[M-H]- 357.02778 171.3
[M+NH4]+ 376.06888 182.4
[M+K]+ 396.99822 164.1
[M+H-H2O]+ 341.03232 165.8
[M+HCOO]- 403.03326 173.1
[M+CH3COO]- 417.04891 206.9
[M+Na-2H]- 379.00973 171.4
[M]+ 358.03451 183.4
[M]- 358.03561 183.4
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.