CID 478417

1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-n-ethyl-n-methyl-piperidine-4-carboxamide

Structural Information

Molecular Formula
C26H37N3O3S
SMILES
CCN(C)C(=O)C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C26H37N3O3S/c1-4-27(2)26(30)23-15-18-29(19-16-23)20-17-24(22-11-7-5-8-12-22)21-28(3)33(31,32)25-13-9-6-10-14-25/h5-14,23-24H,4,15-21H2,1-3H3
InChIKey
KRFQQDJKAIYPRN-UHFFFAOYSA-N
Compound name
1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]-N-ethyl-N-methylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.25555 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.26283 213.8
[M+Na]+ 494.24477 212.9
[M-H]- 470.24827 222.0
[M+NH4]+ 489.28937 220.1
[M+K]+ 510.21871 209.9
[M+H-H2O]+ 454.25281 202.6
[M+HCOO]- 516.25375 225.3
[M+CH3COO]- 530.26940 243.5
[M+Na-2H]- 492.23022 211.8
[M]+ 471.25500 214.6
[M]- 471.25610 214.6
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.