CID 481200

2-[((2s)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)(2-phenylethyl)amino]-1-phenylethan-1-one

Structural Information

Molecular Formula
C32H40N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)CC(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C32H40N2O5S/c1-39-30-16-18-31(19-17-30)40(37,38)34(22-27-12-8-9-13-27)24-29(35)23-33(21-20-26-10-4-2-5-11-26)25-32(36)28-14-6-3-7-15-28/h2-7,10-11,14-19,27,29,35H,8-9,12-13,20-25H2,1H3/t29-/m0/s1
InChIKey
XUAKMSGJNFFJFB-LJAQVGFWSA-N
Compound name
N-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[phenacyl(2-phenylethyl)amino]propyl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.2658 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.27308 236.5
[M+Na]+ 587.25502 233.9
[M-H]- 563.25852 247.6
[M+NH4]+ 582.29962 240.6
[M+K]+ 603.22896 231.0
[M+H-H2O]+ 547.26306 225.6
[M+HCOO]- 609.26400 249.6
[M+CH3COO]- 623.27965 255.8
[M+Na-2H]- 585.24047 232.8
[M]+ 564.26525 239.4
[M]- 564.26635 239.4
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.