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 160.5
[M+Na]+ 381.02428 163.1
[M+NH4]+ 376.06888 165.2
[M+K]+ 396.99822 161.8
[M-H]- 357.02778 160.9
[M+Na-2H]- 379.00973 162.4
[M]+ 358.03451 160.2
[M]- 358.03561 160.2
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.