CID 483372

(4-phenylphenyl)methyl n-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-n-propyl-carbamate

Structural Information

Molecular Formula
C39H47N3O4S
SMILES
CCCN(C1CCN(CC1)CCC(CN(C)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C39H47N3O4S/c1-3-26-42(39(43)46-31-32-19-21-35(22-20-32)33-13-7-4-8-14-33)37-24-28-41(29-25-37)27-23-36(34-15-9-5-10-16-34)30-40(2)47(44,45)38-17-11-6-12-18-38/h4-22,36-37H,3,23-31H2,1-2H3
InChIKey
OJFISSWNRWKCOH-UHFFFAOYSA-N
Compound name
(4-phenylphenyl)methyl N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

653.32874 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.33602 256.3
[M+Na]+ 676.31796 252.1
[M-H]- 652.32146 268.3
[M+NH4]+ 671.36256 253.4
[M+K]+ 692.29190 247.6
[M+H-H2O]+ 636.32600 241.2
[M+HCOO]- 698.32694 265.5
[M+CH3COO]- 712.34259 274.2
[M+Na-2H]- 674.30341 253.4
[M]+ 653.32819 256.7
[M]- 653.32929 256.7
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.