CID 15511186

1,1-dimethylethyl (3as,4s,6r,6ar)-4-[(1z)-1-cyano-2-hydroxyethenyl]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2,2-dimethyl-5h-1,3-dioxolo[4,5-c]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C22H38N2O6Si
SMILES
CC1(O[C@@H]2[C@H](N([C@H]([C@@H]2O1)/C(=C/O)/C#N)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C22H38N2O6Si/c1-20(2,3)30-19(26)24-15(13-27-31(9,10)21(4,5)6)17-18(29-22(7,8)28-17)16(24)14(11-23)12-25/h12,15-18,25H,13H2,1-10H3/b14-12+/t15-,16+,17-,18+/m1/s1
InChIKey
JXRVZIDPWUDVAH-XHCSWFMASA-N
Compound name
tert-butyl (3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(Z)-1-cyano-2-hydroxyethenyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.2499 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.25718 193.3
[M+Na]+ 477.23912 196.6
[M+NH4]+ 472.28372 193.4
[M+K]+ 493.21306 195.8
[M-H]- 453.24262 183.5
[M+Na-2H]- 475.22457 188.3
[M]+ 454.24935 189.9
[M]- 454.25045 189.9
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.