CID 57767438

N-benzylpiperidine-4-sulfonamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
C1CNCCC1S(=O)(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C12H18N2O2S/c15-17(16,12-6-8-13-9-7-12)14-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
InChIKey
ODTCZZBZLBBAGN-UHFFFAOYSA-N
Compound name
N-benzylpiperidine-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

254.1089 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 155.5
[M+Na]+ 277.09812 159.6
[M-H]- 253.10162 158.3
[M+NH4]+ 272.14272 169.9
[M+K]+ 293.07206 155.0
[M+H-H2O]+ 237.10616 148.0
[M+HCOO]- 299.10710 168.6
[M+CH3COO]- 313.12275 188.7
[M+Na-2H]- 275.08357 159.7
[M]+ 254.10835 150.7
[M]- 254.10945 150.7
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