CID 478418

Chembl2282505

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

471.25555 Da
Monoisotopic Mass

3.6
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

literature stripe

Patent stripe

patents stripe