CID 3011720

Benzeneacetamide, n-ethyl-4-(methylsulfonyl)-n-[1-[3-phenyl-3-[4-(phenylsulfonyl)-1-piperazinyl]propyl]-4-piperidinyl]-

Structural Information

Molecular Formula
C35H46N4O5S2
SMILES
CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C(=O)CC5=CC=C(C=C5)S(=O)(=O)C
InChI
InChI=1S/C35H46N4O5S2/c1-3-39(35(40)28-29-14-16-32(17-15-29)45(2,41)42)31-18-21-36(22-19-31)23-20-34(30-10-6-4-7-11-30)37-24-26-38(27-25-37)46(43,44)33-12-8-5-9-13-33/h4-17,31,34H,3,18-28H2,1-2H3
InChIKey
PTDODYVKXHMACL-UHFFFAOYSA-N
Compound name
N-[1-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.29095 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.29823 248.5
[M+Na]+ 689.28017 245.3
[M-H]- 665.28367 256.2
[M+NH4]+ 684.32477 242.9
[M+K]+ 705.25411 239.5
[M+H-H2O]+ 649.28821 235.7
[M+HCOO]- 711.28915 246.0
[M+CH3COO]- 725.30480 267.9
[M+Na-2H]- 687.26562 247.3
[M]+ 666.29040 245.4
[M]- 666.29150 245.4
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.