CID 508299

Benzyl n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl(methylsulfonyl)amino]propyl]carbamate

Structural Information

Molecular Formula
C23H32N2O5S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C
InChI
InChI=1S/C23H32N2O5S/c1-18(2)15-25(31(3,28)29)16-22(26)21(14-19-10-6-4-7-11-19)24-23(27)30-17-20-12-8-5-9-13-20/h4-13,18,21-22,26H,14-17H2,1-3H3,(H,24,27)/t21-,22+/m0/s1
InChIKey
JALUUNAXBDIXSS-FCHUYYIVSA-N
Compound name
benzyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2032 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.21048 207.8
[M+Na]+ 471.19242 207.4
[M-H]- 447.19592 212.4
[M+NH4]+ 466.23702 215.2
[M+K]+ 487.16636 205.4
[M+H-H2O]+ 431.20046 198.3
[M+HCOO]- 493.20140 220.8
[M+CH3COO]- 507.21705 233.7
[M+Na-2H]- 469.17787 206.1
[M]+ 448.20265 211.9
[M]- 448.20375 211.9
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.