CID 508302

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

Structural Information

Molecular Formula
C24H32N2O5S
SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C=C
InChI
InChI=1S/C24H32N2O5S/c1-4-32(29,30)26(16-19(2)3)17-23(27)22(15-20-11-7-5-8-12-20)25-24(28)31-18-21-13-9-6-10-14-21/h4-14,19,22-23,27H,1,15-18H2,2-3H3,(H,25,28)/t22-,23+/m0/s1
InChIKey
QIVPWEVYJVPXQR-XZOQPEGZSA-N
Compound name
benzyl N-[(2S,3R)-4-[ethenylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.2032 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.21048 211.3
[M+Na]+ 483.19242 210.7
[M-H]- 459.19592 215.7
[M+NH4]+ 478.23702 218.1
[M+K]+ 499.16636 207.9
[M+H-H2O]+ 443.20046 201.7
[M+HCOO]- 505.20140 224.1
[M+CH3COO]- 519.21705 235.8
[M+Na-2H]- 481.17787 209.2
[M]+ 460.20265 215.0
[M]- 460.20375 215.0
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.