CID 214831

71-19 r&c

Structural Information

Molecular Formula
C17H23FN2O3S
SMILES
CC1(C2CCC1(CN(C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)F)C)C
InChI
InChI=1S/C17H23FN2O3S/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
JOFJRKZRBGKCTM-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)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

354.14133 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14861 179.4
[M+Na]+ 377.13055 186.9
[M-H]- 353.13405 182.3
[M+NH4]+ 372.17515 198.7
[M+K]+ 393.10449 183.0
[M+H-H2O]+ 337.13859 173.5
[M+HCOO]- 399.13953 189.5
[M+CH3COO]- 413.15518 211.4
[M+Na-2H]- 375.11600 182.7
[M]+ 354.14078 179.9
[M]- 354.14188 179.9
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

patents stripe