CID 54693673

Carbamic acid, [5-[[(1,1-dimethylethyl)amino]carbonyl]-2,5-dihydro-4-hydroxy-2-oxo-5-(2-phenylethyl)-3-furanyl]methyl-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C23H32N2O6
SMILES
CC(C)(C)NC(=O)C1(C(=C(C(=O)O1)N(C)C(=O)OC(C)(C)C)O)CCC2=CC=CC=C2
InChI
InChI=1S/C23H32N2O6/c1-21(2,3)24-19(28)23(14-13-15-11-9-8-10-12-15)17(26)16(18(27)30-23)25(7)20(29)31-22(4,5)6/h8-12,26H,13-14H2,1-7H3,(H,24,28)
InChIKey
DSWAYLHGYRWPGK-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(tert-butylcarbamoyl)-4-hydroxy-2-oxo-5-(2-phenylethyl)furan-3-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.22604 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.23332 201.9
[M+Na]+ 455.21526 205.7
[M-H]- 431.21876 209.2
[M+NH4]+ 450.25986 213.6
[M+K]+ 471.18920 206.8
[M+H-H2O]+ 415.22330 196.3
[M+HCOO]- 477.22424 219.4
[M+CH3COO]- 491.23989 233.0
[M+Na-2H]- 453.20071 203.5
[M]+ 432.22549 207.6
[M]- 432.22659 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.