CID 481215

N-((2s)-3-{(cyclopentylmethyl)[(6-methoxy(2h-3,4,5,6-tetrahydropyran-3-yl))sulfonyl]amino}-2-hydroxypropyl)phenyl-n-(2-phenylethyl)carboxamide

Structural Information

Molecular Formula
C30H42N2O6S
SMILES
COC1CCC(CO1)S(=O)(=O)N(CC2CCCC2)C[C@H](CN(CCC3=CC=CC=C3)C(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C30H42N2O6S/c1-37-29-17-16-28(23-38-29)39(35,36)32(20-25-12-8-9-13-25)22-27(33)21-31(19-18-24-10-4-2-5-11-24)30(34)26-14-6-3-7-15-26/h2-7,10-11,14-15,25,27-29,33H,8-9,12-13,16-23H2,1H3/t27-,28?,29?/m0/s1
InChIKey
NWJAZUKFMQTBCQ-VSPYUBNUSA-N
Compound name
N-[(2S)-3-[cyclopentylmethyl-(6-methoxyoxan-3-yl)sulfonylamino]-2-hydroxypropyl]-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.27637 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.28365 231.9
[M+Na]+ 581.26559 227.4
[M-H]- 557.26909 242.9
[M+NH4]+ 576.31019 234.9
[M+K]+ 597.23953 227.1
[M+H-H2O]+ 541.27363 222.0
[M+HCOO]- 603.27457 241.1
[M+CH3COO]- 617.29022 253.5
[M+Na-2H]- 579.25104 227.8
[M]+ 558.27582 232.2
[M]- 558.27692 232.2
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.