CID 481341

{3-[(cyclopentylmethyl)(phenylsulfonyl)amino]-2-hydroxypropyl}(2-phenylethyl)(phenylsulfonyl)amine

Structural Information

Molecular Formula
C29H36N2O5S2
SMILES
C1CCC(C1)CN(CC(CN(CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H36N2O5S2/c32-27(24-31(22-26-14-10-11-15-26)38(35,36)29-18-8-3-9-19-29)23-30(21-20-25-12-4-1-5-13-25)37(33,34)28-16-6-2-7-17-28/h1-9,12-13,16-19,26-27,32H,10-11,14-15,20-24H2
InChIKey
HTVRPNHPGMILKG-UHFFFAOYSA-N
Compound name
N-[3-[benzenesulfonyl(cyclopentylmethyl)amino]-2-hydroxypropyl]-N-(2-phenylethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.20654 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.21382 231.1
[M+Na]+ 579.19576 230.2
[M-H]- 555.19926 241.7
[M+NH4]+ 574.24036 235.9
[M+K]+ 595.16970 225.9
[M+H-H2O]+ 539.20380 221.5
[M+HCOO]- 601.20474 240.0
[M+CH3COO]- 615.22039 248.5
[M+Na-2H]- 577.18121 231.9
[M]+ 556.20599 233.1
[M]- 556.20709 233.1
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.