CID 214827

71-17 r&c

Structural Information

Molecular Formula
C17H23ClN2O3S
SMILES
CC1(C2CCC1(CN(C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl)C)C
InChI
InChI=1S/C17H23ClN2O3S/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
STHHABLIHXTCAK-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)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

370.1118 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11908 183.0
[M+Na]+ 393.10102 191.1
[M-H]- 369.10452 187.4
[M+NH4]+ 388.14562 202.6
[M+K]+ 409.07496 186.2
[M+H-H2O]+ 353.10906 178.9
[M+HCOO]- 415.11000 189.7
[M+CH3COO]- 429.12565 212.4
[M+Na-2H]- 391.08647 186.5
[M]+ 370.11125 186.6
[M]- 370.11235 186.6
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