CID 4428039

(1s, 9s)-(-)-1,9-bis[(tert-butyldimethylsilyloxy)methyl]-5-cyanosemicorrin

Structural Information

Molecular Formula
C24H45N3O2Si2
SMILES
CC(C)(C)[Si](C)(C)OCC1CCC(=C(C#N)C2=NC(CC2)CO[Si](C)(C)C(C)(C)C)N1
InChI
InChI=1S/C24H45N3O2Si2/c1-23(2,3)30(7,8)28-16-18-11-13-21(26-18)20(15-25)22-14-12-19(27-22)17-29-31(9,10)24(4,5)6/h18-19,26H,11-14,16-17H2,1-10H3
InChIKey
JYNLYWZVXIGLJC-UHFFFAOYSA-N
Compound name
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyrrol-5-yl]-2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

463.30502 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.31230 204.1
[M+Na]+ 486.29424 207.7
[M+NH4]+ 481.33884 204.1
[M+K]+ 502.26818 205.5
[M-H]- 462.29774 194.4
[M+Na-2H]- 484.27969 201.6
[M]+ 463.30447 200.8
[M]- 463.30557 200.8
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.