CID 9571609

Nsc687024

Structural Information

Molecular Formula
C17H25N3O6Si
SMILES
CC(C)(C)[Si](C)(C)OC1C(OC(C1(C#C)O)/C=N/O)N2C=CC(=O)NC2=O
InChI
InChI=1S/C17H25N3O6Si/c1-7-17(23)11(10-18-24)25-14(20-9-8-12(21)19-15(20)22)13(17)26-27(5,6)16(2,3)4/h1,8-11,13-14,23-24H,2-6H3,(H,19,21,22)/b18-10+
InChIKey
RMOFTXJHRQGZLR-VCHYOVAHSA-N
Compound name
1-[3-[tert-butyl(dimethyl)silyl]oxy-4-ethynyl-4-hydroxy-5-[(E)-hydroxyiminomethyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15128 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15856 190.7
[M+Na]+ 418.14050 199.6
[M-H]- 394.14400 191.0
[M+NH4]+ 413.18510 199.3
[M+K]+ 434.11444 196.4
[M+H-H2O]+ 378.14854 178.1
[M+HCOO]- 440.14948 199.1
[M+CH3COO]- 454.16513 219.6
[M+Na-2H]- 416.12595 192.0
[M]+ 395.15073 187.1
[M]- 395.15183 187.1
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.