CID 479854

(2-cyclohexyl-4-spiro[2,3-dihydrobenzo[b]thiophene-3,4'-piperidine]-10-ylbutyl)methyl(phenylsulfonyl)amine

Structural Information

Molecular Formula
C29H40N2O2S2
SMILES
CN(CC(CCN1CCC2(CC1)CSC3=CC=CC=C23)C4CCCCC4)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H40N2O2S2/c1-30(35(32,33)26-12-6-3-7-13-26)22-25(24-10-4-2-5-11-24)16-19-31-20-17-29(18-21-31)23-34-28-15-9-8-14-27(28)29/h3,6-9,12-15,24-25H,2,4-5,10-11,16-23H2,1H3
InChIKey
UMEHGFFZITZFDN-UHFFFAOYSA-N
Compound name
N-(2-cyclohexyl-4-spiro[2H-1-benzothiophene-3,4'-piperidine]-1'-ylbutyl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2531 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.26038 219.6
[M+Na]+ 535.24232 219.3
[M-H]- 511.24582 227.3
[M+NH4]+ 530.28692 229.2
[M+K]+ 551.21626 213.7
[M+H-H2O]+ 495.25036 210.5
[M+HCOO]- 557.25130 221.0
[M+CH3COO]- 571.26695 223.8
[M+Na-2H]- 533.22777 218.0
[M]+ 512.25255 215.3
[M]- 512.25365 215.3
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.