CID 5275832

Chembl178337

Structural Information

Molecular Formula
C32H39N3O4S
SMILES
C[C@H]1[C@H](OC(=O)N1C2CCN(CC2)CC[C@H](CN(C)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H39N3O4S/c1-25-31(27-14-8-4-9-15-27)39-32(36)35(25)29-19-22-34(23-20-29)21-18-28(26-12-6-3-7-13-26)24-33(2)40(37,38)30-16-10-5-11-17-30/h3-17,25,28-29,31H,18-24H2,1-2H3/t25-,28+,31-/m0/s1
InChIKey
QVFTZVPVDAIMDC-AAUBNCJJSA-N
Compound name
N-methyl-N-[(2S)-4-[4-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

561.2661 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.27338 235.3
[M+Na]+ 584.25532 235.9
[M-H]- 560.25882 248.0
[M+NH4]+ 579.29992 236.3
[M+K]+ 600.22926 231.7
[M+H-H2O]+ 544.26336 223.2
[M+HCOO]- 606.26430 243.1
[M+CH3COO]- 620.27995 253.7
[M+Na-2H]- 582.24077 230.1
[M]+ 561.26555 234.5
[M]- 561.26665 234.5
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.