CID 453854

3allyl-2',5'disilylspirou

Structural Information

Molecular Formula
C26H45N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=CC(=O)N(C3=O)CC=C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C26H45N3O8SSi2/c1-12-14-28-20(30)13-15-29(23(28)31)22-21(36-40(10,11)25(5,6)7)26(18(27)17-38(32,33)37-26)19(35-22)16-34-39(8,9)24(2,3)4/h12-13,15,17,19,21-22H,1,14,16,27H2,2-11H3/t19-,21+,22-,26?/m1/s1
InChIKey
LEMLPGUJAXTVGW-YJUZVQBQSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

615.2466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.25388 232.3
[M+Na]+ 638.23582 238.4
[M-H]- 614.23932 239.5
[M+NH4]+ 633.28042 239.0
[M+K]+ 654.20976 239.6
[M+H-H2O]+ 598.24386 230.2
[M+HCOO]- 660.24480 237.8
[M+CH3COO]- 674.26045 256.4
[M+Na-2H]- 636.22127 237.1
[M]+ 615.24605 243.8
[M]- 615.24715 243.8
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.