CID 481199

N-((2s)-3-{(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-2-hydroxypropyl)phenyl-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C31H38N2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C31H38N2O5S/c1-38-29-16-18-30(19-17-29)39(36,37)33(22-26-12-8-9-13-26)24-28(34)23-32(21-20-25-10-4-2-5-11-25)31(35)27-14-6-3-7-15-27/h2-7,10-11,14-19,26,28,34H,8-9,12-13,20-24H2,1H3/t28-/m0/s1
InChIKey
LBDQPJBYJCJEIQ-NDEPHWFRSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.2501 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.25738 232.8
[M+Na]+ 573.23932 230.7
[M-H]- 549.24282 244.2
[M+NH4]+ 568.28392 237.6
[M+K]+ 589.21326 228.0
[M+H-H2O]+ 533.24736 222.1
[M+HCOO]- 595.24830 246.3
[M+CH3COO]- 609.26395 252.4
[M+Na-2H]- 571.22477 229.5
[M]+ 550.24955 235.4
[M]- 550.25065 235.4
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.