CID 165366033

1,1-dimethylethyl (3as,4s,6r,6ar)-4-[1-cyano-2-[(cyanomethyl)amino]ethenyl]-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
C24H40N4O5Si
SMILES
CC1(O[C@@H]2[C@H](N([C@H]([C@@H]2O1)C(=CNCC#N)C#N)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C24H40N4O5Si/c1-22(2,3)33-21(29)28-17(15-30-34(9,10)23(4,5)6)19-20(32-24(7,8)31-19)18(28)16(13-26)14-27-12-11-25/h14,17-20,27H,12,15H2,1-10H3/t17-,18+,19-,20+/m1/s1
InChIKey
GNOMBSMFNVCKGN-WCIQWLHISA-N
Compound name
tert-butyl (3aS,4S,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[1-cyano-2-(cyanomethylamino)ethenyl]-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

492.2768 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.28408 209.3
[M+Na]+ 515.26602 211.6
[M+NH4]+ 510.31062 206.8
[M+K]+ 531.23996 206.4
[M-H]- 491.26952 197.0
[M+Na-2H]- 513.25147 202.9
[M]+ 492.27625 204.8
[M]- 492.27735 204.8
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.