CID 3146105

4-[(3-methylpiperidin-1-yl)sulfonyl]aniline

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H18N2O2S/c1-10-3-2-8-14(9-10)17(15,16)12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9,13H2,1H3
InChIKey
USLQEPOHTJUPHK-UHFFFAOYSA-N
Compound name
4-(3-methylpiperidin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.1089 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 156.0
[M+Na]+ 277.09812 166.6
[M+NH4]+ 272.14272 163.6
[M+K]+ 293.07206 159.4
[M-H]- 253.10162 158.9
[M+Na-2H]- 275.08357 162.0
[M]+ 254.10835 158.6
[M]- 254.10945 158.6
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

No patent data available for this compound.