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

19
Patents

254.1089 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 155.5
[M+Na]+ 277.098118 159.6
[M-H]- 253.101624 158.3
[M+NH4]+ 272.142723 169.9
[M+K]+ 293.072058 155.0
[M+H-H2O]+ 237.106160 148.0
[M+HCOO]- 299.107101 168.6
[M+CH3COO]- 313.122751 188.7
[M+Na-2H]- 275.083566 159.7
[M]+ 254.10835142 150.7
[M]- 254.10944858 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