CID 479877

Chembl91522

Structural Information

Molecular Formula
C26H32N2O2S2
SMILES
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CSC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H32N2O2S2/c1-27(32(29,30)26-10-6-3-7-11-26)20-24(25-15-19-31-21-25)14-18-28-16-12-23(13-17-28)22-8-4-2-5-9-22/h2-11,15,19,21,23-24H,12-14,16-18,20H2,1H3
InChIKey
XWXQHDZLNCSLKP-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-(4-phenylpiperidin-1-yl)-2-thiophen-3-ylbutyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

468.19052 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.19780 211.6
[M+Na]+ 491.17974 214.1
[M-H]- 467.18324 222.0
[M+NH4]+ 486.22434 220.2
[M+K]+ 507.15368 207.8
[M+H-H2O]+ 451.18778 202.2
[M+HCOO]- 513.18872 219.9
[M+CH3COO]- 527.20437 218.2
[M+Na-2H]- 489.16519 209.1
[M]+ 468.18997 211.5
[M]- 468.19107 211.5
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.