CID 2802758

Maybridge2_000097

Structural Information

Molecular Formula
C16H22N2O3S
SMILES
CN1C2CCC1CC(C2)NC(=O)CS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H22N2O3S/c1-18-13-7-8-14(18)10-12(9-13)17-16(19)11-22(20,21)15-5-3-2-4-6-15/h2-6,12-14H,7-11H2,1H3,(H,17,19)
InChIKey
YFWQISPPCPCIPW-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

322.1351 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.142376 174.2
[M+Na]+ 345.124318 179.3
[M-H]- 321.127824 178.1
[M+NH4]+ 340.168923 190.5
[M+K]+ 361.098258 175.5
[M+H-H2O]+ 305.132360 167.9
[M+HCOO]- 367.133301 185.9
[M+CH3COO]- 381.148951 206.1
[M+Na-2H]- 343.109766 175.9
[M]+ 322.13455142 174.2
[M]- 322.13564858 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.