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 180.7
[M+Na]+ 361.19202 184.1
[M-H]- 337.19552 186.1
[M+NH4]+ 356.23662 193.6
[M+K]+ 377.16596 181.1
[M+H-H2O]+ 321.20006 172.2
[M+HCOO]- 383.20100 192.6
[M+CH3COO]- 397.21665 215.7
[M+Na-2H]- 359.17747 179.4
[M]+ 338.20225 181.4
[M]- 338.20335 181.4
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