CID 24837904

N-(1-methyl-2-piperidinoethyl)ethanesulfonanilide

Structural Information

Molecular Formula
C16H26N2O2S
SMILES
CCS(=O)(=O)N(C1=CC=CC=C1)C(C)CN2CCCCC2
InChI
InChI=1S/C16H26N2O2S/c1-3-21(19,20)18(16-10-6-4-7-11-16)15(2)14-17-12-8-5-9-13-17/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3
InChIKey
ITMGEBWTSFDSIE-UHFFFAOYSA-N
Compound name
N-phenyl-N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1715 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17878 172.7
[M+Na]+ 333.16072 175.2
[M-H]- 309.16422 177.7
[M+NH4]+ 328.20532 186.1
[M+K]+ 349.13466 172.6
[M+H-H2O]+ 293.16876 164.0
[M+HCOO]- 355.16970 185.4
[M+CH3COO]- 369.18535 207.3
[M+Na-2H]- 331.14617 173.6
[M]+ 310.17095 171.8
[M]- 310.17205 171.8
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

No patent data available for this compound.