CID 65748427

2219374-18-0

Structural Information

Molecular Formula
C15H24N2O2S
SMILES
CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)CCCN
InChI
InChI=1S/C15H24N2O2S/c1-13-5-2-3-12-17(13)20(18,19)15-9-7-14(8-10-15)6-4-11-16/h7-10,13H,2-6,11-12,16H2,1H3
InChIKey
STYLBGLPKNLFPX-UHFFFAOYSA-N
Compound name
3-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15585 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16313 169.2
[M+Na]+ 319.14507 174.2
[M-H]- 295.14857 173.0
[M+NH4]+ 314.18967 182.9
[M+K]+ 335.11901 169.4
[M+H-H2O]+ 279.15311 161.2
[M+HCOO]- 341.15405 182.1
[M+CH3COO]- 355.16970 201.9
[M+Na-2H]- 317.13052 169.9
[M]+ 296.15530 167.1
[M]- 296.15640 167.1
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.