CID 788726

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

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H18N2O2S/c1-10-6-8-14(9-7-10)17(15,16)12-4-2-11(13)3-5-12/h2-5,10H,6-9,13H2,1H3
InChIKey
NTUKRLPMKLQAAE-UHFFFAOYSA-N
Compound name
4-(4-methylpiperidin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 156.3
[M+Na]+ 277.09812 162.7
[M-H]- 253.10162 160.8
[M+NH4]+ 272.14272 171.8
[M+K]+ 293.07206 158.6
[M+H-H2O]+ 237.10616 149.0
[M+HCOO]- 299.10710 170.2
[M+CH3COO]- 313.12275 192.9
[M+Na-2H]- 275.08357 158.4
[M]+ 254.10835 153.2
[M]- 254.10945 153.2
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

patents stripe