CID 6478599

(z)-3-[(2r,3s,5r)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]prop-2-enenitrile

Structural Information

Molecular Formula
C18H27N3O4Si
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)/C=C\C#N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C18H27N3O4Si/c1-12-11-21(17(23)20-16(12)22)15-10-14(13(24-15)8-7-9-19)25-26(5,6)18(2,3)4/h7-8,11,13-15H,10H2,1-6H3,(H,20,22,23)/b8-7-/t13-,14+,15-/m1/s1
InChIKey
JTKXPUNSFDTTJY-YYVJBKDVSA-N
Compound name
(Z)-3-[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.1771 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18438 189.3
[M+Na]+ 400.16632 198.2
[M-H]- 376.16982 191.5
[M+NH4]+ 395.21092 198.2
[M+K]+ 416.14026 194.8
[M+H-H2O]+ 360.17436 175.1
[M+HCOO]- 422.17530 199.8
[M+CH3COO]- 436.19095 222.5
[M+Na-2H]- 398.15177 188.9
[M]+ 377.17655 186.2
[M]- 377.17765 186.2
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.