CID 497586

Chembl2374228

Structural Information

Molecular Formula
C19H31N3O8Si
SMILES
CC1CN2CC(O[Si](O1)(OC(C2)C)O[C@H]3C[C@@H](O[C@@H]3CO)N4C=C(C(=O)NC4=O)C)C
InChI
InChI=1S/C19H31N3O8Si/c1-11-6-22(19(25)20-18(11)24)17-5-15(16(10-23)26-17)30-31-27-12(2)7-21(8-13(3)28-31)9-14(4)29-31/h6,12-17,23H,5,7-10H2,1-4H3,(H,20,24,25)/t12?,13?,14?,15-,16+,17+,31?/m0/s1
InChIKey
MZGVHEKFKGRQNU-XYWXVOHKSA-N
Compound name
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)oxy]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.18805 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.19533 115.3
[M+Na]+ 480.17727 115.3
[M-H]- 456.18077 115.3
[M+NH4]+ 475.22187 115.3
[M+K]+ 496.15121 115.3
[M+H-H2O]+ 440.18531 115.2
[M+HCOO]- 502.18625 115.2
[M+CH3COO]- 516.20190 115.2
[M+Na-2H]- 478.16272 115.1
[M]+ 457.18750 115.2
[M]- 457.18860 115.2
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.