CID 507725

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

Structural Information

Molecular Formula
C23H33N3O5S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)NC
InChI
InChI=1S/C23H33N3O5S/c1-18(2)15-26(32(29,30)24-3)16-22(27)21(14-19-10-6-4-7-11-19)25-23(28)31-17-20-12-8-5-9-13-20/h4-13,18,21-22,24,27H,14-17H2,1-3H3,(H,25,28)/t21-,22+/m0/s1
InChIKey
CQZFRVLGHWHXBS-FCHUYYIVSA-N
Compound name
benzyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl(methylsulfamoyl)amino]-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.21408 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22136 210.2
[M+Na]+ 486.20330 208.8
[M-H]- 462.20680 214.6
[M+NH4]+ 481.24790 216.5
[M+K]+ 502.17724 207.0
[M+H-H2O]+ 446.21134 200.3
[M+HCOO]- 508.21228 224.1
[M+CH3COO]- 522.22793 239.0
[M+Na-2H]- 484.18875 209.4
[M]+ 463.21353 213.4
[M]- 463.21463 213.4
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.