CID 497588

Chembl3084911

Structural Information

Molecular Formula
C16H25N3O8Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O[Si]34OCCN(CCO3)CCO4
InChI
InChI=1S/C16H25N3O8Si/c1-11-9-19(16(22)17-15(11)21)14-8-12(13(10-20)26-14)27-28-23-5-2-18(3-6-24-28)4-7-25-28/h9,12-14,20H,2-8,10H2,1H3,(H,17,21,22)/t12-,13+,14+/m0/s1
InChIKey
TWUJTASQAOBHQN-BFHYXJOUSA-N
Compound name
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yloxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.14108 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14836 115.1
[M+Na]+ 438.13030 115.1
[M-H]- 414.13380 115.1
[M+NH4]+ 433.17490 115.1
[M+K]+ 454.10424 115.1
[M+H-H2O]+ 398.13834 115.0
[M+HCOO]- 460.13928 115.0
[M+CH3COO]- 474.15493 115.0
[M+Na-2H]- 436.11575 114.9
[M]+ 415.14053 115.0
[M]- 415.14163 115.0
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.