CID 481357

[(3s)-tetrahydrofuran-3-yl] n-[(1s)-4-(benzenesulfonamido)-1-benzyl-3,3-difluoro-6-methyl-2-oxo-heptyl]carbamate

Structural Information

Molecular Formula
C26H32F2N2O6S
SMILES
CC(C)CC(C(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)(F)F)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H32F2N2O6S/c1-18(2)15-23(30-37(33,34)21-11-7-4-8-12-21)26(27,28)24(31)22(16-19-9-5-3-6-10-19)29-25(32)36-20-13-14-35-17-20/h3-12,18,20,22-23,30H,13-17H2,1-2H3,(H,29,32)/t20-,22-,23?/m0/s1
InChIKey
PQBFBQYYDJIMGB-XWQVQCDNSA-N
Compound name
[(3S)-oxolan-3-yl] N-[(2S)-5-(benzenesulfonamido)-4,4-difluoro-7-methyl-3-oxo-1-phenyloctan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.1949 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.20218 223.5
[M+Na]+ 561.18412 221.6
[M-H]- 537.18762 228.8
[M+NH4]+ 556.22872 227.0
[M+K]+ 577.15806 220.6
[M+H-H2O]+ 521.19216 213.4
[M+HCOO]- 583.19310 231.1
[M+CH3COO]- 597.20875 246.2
[M+Na-2H]- 559.16957 221.1
[M]+ 538.19435 223.1
[M]- 538.19545 223.1
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.