CID 11274911

[(s,s)-teth-tsdpen rucl]

Structural Information

Molecular Formula
C30H32N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NCCCC4=CC=CC=C4
InChI
InChI=1S/C30H32N2O2S/c1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25/h2-10,12-13,15-22,29-32H,11,14,23H2,1H3/t29-,30-/m1/s1
InChIKey
NLBYDBVUJVOSPI-LOYHVIPDSA-N
Compound name
N-[(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

484.21844 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.22572 217.6
[M+Na]+ 507.20766 231.2
[M+NH4]+ 502.25226 224.8
[M+K]+ 523.18160 219.7
[M-H]- 483.21116 226.8
[M+Na-2H]- 505.19311 230.4
[M]+ 484.21789 222.8
[M]- 484.21899 222.8
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

patents stripe