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

literature stripe

Patent stripe

patents stripe