CID 5312148

195199-95-2

Structural Information

Molecular Formula
C18H30N2O2S
SMILES
CC1CCN(CC1)CC[C@@H](C)N(C)S(=O)(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C18H30N2O2S/c1-15-8-11-20(12-9-15)13-10-17(3)19(4)23(21,22)18-7-5-6-16(2)14-18/h5-7,14-15,17H,8-13H2,1-4H3/t17-/m1/s1
InChIKey
AGVNHDNTFYHZNL-QGZVFWFLSA-N
Compound name
N,3-dimethyl-N-[(2R)-4-(4-methylpiperidin-1-yl)butan-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

28
Patents

338.2028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21008 180.4
[M+Na]+ 361.19202 189.9
[M+NH4]+ 356.23662 187.3
[M+K]+ 377.16596 182.5
[M-H]- 337.19552 183.4
[M+Na-2H]- 359.17747 185.6
[M]+ 338.20225 183.0
[M]- 338.20335 183.0
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

patents stripe