CID 214830

71-18 r&c

Structural Information

Molecular Formula
C17H23BrN2O3S
SMILES
CC1(C2CCC1(CN(C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Br)C)C
InChI
InChI=1S/C17H23BrN2O3S/c1-16(2)12-8-9-17(16,3)11-20(10-12)15(21)19-24(22,23)14-6-4-13(18)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKey
CKVVWZRGLIVIMU-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)sulfonyl-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.06128 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.06856 178.9
[M+Na]+ 437.05050 189.3
[M-H]- 413.05400 185.6
[M+NH4]+ 432.09510 199.5
[M+K]+ 453.02444 177.8
[M+H-H2O]+ 397.05854 180.5
[M+HCOO]- 459.05948 188.5
[M+CH3COO]- 473.07513 216.7
[M+Na-2H]- 435.03595 184.5
[M]+ 414.06073 199.3
[M]- 414.06183 199.3
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.