CID 481181

(3s)-n-[(2s)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]-n-isopentyl-tetrahydrofuran-3-carboxamide

Structural Information

Molecular Formula
C26H42N2O6S
SMILES
CC(C)CCN(C[C@@H](CN(CC1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC)O)C(=O)[C@H]3CCOC3
InChI
InChI=1S/C26H42N2O6S/c1-20(2)12-14-27(26(30)22-13-15-34-19-22)17-23(29)18-28(16-21-6-4-5-7-21)35(31,32)25-10-8-24(33-3)9-11-25/h8-11,20-23,29H,4-7,12-19H2,1-3H3/t22-,23-/m0/s1
InChIKey
KCSVJINATUUADB-GOTSBHOMSA-N
Compound name
(3S)-N-[(2S)-3-[cyclopentylmethyl-(4-methoxyphenyl)sulfonylamino]-2-hydroxypropyl]-N-(3-methylbutyl)oxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.27637 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.28365 225.8
[M+Na]+ 533.26559 222.5
[M-H]- 509.26909 235.0
[M+NH4]+ 528.31019 233.6
[M+K]+ 549.23953 223.7
[M+H-H2O]+ 493.27363 218.6
[M+HCOO]- 555.27457 236.3
[M+CH3COO]- 569.29022 246.0
[M+Na-2H]- 531.25104 218.8
[M]+ 510.27582 229.3
[M]- 510.27692 229.3
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.