CID 486608

Chembl84268

Structural Information

Molecular Formula
C26H38N4O3S
SMILES
CCN(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC
InChI
InChI=1S/C26H38N4O3S/c1-4-30(26(31)27-2)24-16-19-29(20-17-24)18-15-23(22-11-7-5-8-12-22)21-28(3)34(32,33)25-13-9-6-10-14-25/h5-14,23-24H,4,15-21H2,1-3H3,(H,27,31)
InChIKey
LNVYOJZDFJEMLZ-UHFFFAOYSA-N
Compound name
1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-1-ethyl-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.26645 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.27373 216.3
[M+Na]+ 509.25567 214.5
[M-H]- 485.25917 224.3
[M+NH4]+ 504.30027 221.7
[M+K]+ 525.22961 211.7
[M+H-H2O]+ 469.26371 204.8
[M+HCOO]- 531.26465 228.8
[M+CH3COO]- 545.28030 248.1
[M+Na-2H]- 507.24112 215.3
[M]+ 486.26590 216.4
[M]- 486.26700 216.4
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

No patent data available for this compound.