CID 5270498

Schembl10664413

Structural Information

Molecular Formula
C15H26N2O4Si
SMILES
C[Si](C)(C)CCC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C15H26N2O4Si/c1-22(2,3)5-4-10-8-17(15(21)16-14(10)20)12-6-11(9-18)13(19)7-12/h8,11-13,18-19H,4-7,9H2,1-3H3,(H,16,20,21)/t11-,12-,13+/m1/s1
InChIKey
WHLCWKVBZFRYCW-UPJWGTAASA-N
Compound name
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(2-trimethylsilylethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

326.1662 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17348 176.3
[M+Na]+ 349.15542 183.4
[M-H]- 325.15892 176.6
[M+NH4]+ 344.20002 188.6
[M+K]+ 365.12936 178.6
[M+H-H2O]+ 309.16346 169.4
[M+HCOO]- 371.16440 190.0
[M+CH3COO]- 385.18005 200.2
[M+Na-2H]- 347.14087 174.9
[M]+ 326.16565 175.2
[M]- 326.16675 175.2
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

patents stripe