CID 508283

N-[(1s,2r)-3-[benzenesulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]benzamide

Structural Information

Molecular Formula
C27H32N2O4S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H32N2O4S/c1-21(2)19-29(34(32,33)24-16-10-5-11-17-24)20-26(30)25(18-22-12-6-3-7-13-22)28-27(31)23-14-8-4-9-15-23/h3-17,21,25-26,30H,18-20H2,1-2H3,(H,28,31)/t25-,26+/m0/s1
InChIKey
AQDYFNWKAPRHFV-IZZNHLLZSA-N
Compound name
N-[(2S,3R)-4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.20828 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21556 215.1
[M+Na]+ 503.19750 214.3
[M-H]- 479.20100 222.5
[M+NH4]+ 498.24210 220.6
[M+K]+ 519.17144 210.7
[M+H-H2O]+ 463.20554 204.7
[M+HCOO]- 525.20648 227.9
[M+CH3COO]- 539.22213 239.9
[M+Na-2H]- 501.18295 214.2
[M]+ 480.20773 216.6
[M]- 480.20883 216.6
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.