CID 5470100

Nsc697595

Structural Information

Molecular Formula
C34H57N5O9Si2
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)C/C=[N+](/CC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O[Si](C)(C)C(C)(C)C)\[O-]
InChI
InChI=1S/C34H57N5O9Si2/c1-21-17-38(31(42)35-29(21)40)27-15-23(26(47-27)20-45-49(9,10)33(3,4)5)13-14-37(44)19-25-24(48-50(11,12)34(6,7)8)16-28(46-25)39-18-22(2)30(41)36-32(39)43/h14,17-18,23-28H,13,15-16,19-20H2,1-12H3,(H,35,40,42)(H,36,41,43)/b37-14-
InChIKey
XCICEPAEHQJXGW-ASKSIGGCSA-N
Compound name
N-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]ethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

735.3695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.37678 244.2
[M+Na]+ 758.35872 251.6
[M-H]- 734.36222 242.4
[M+NH4]+ 753.40332 247.1
[M+K]+ 774.33266 241.8
[M+H-H2O]+ 718.36676 267.5
[M+HCOO]- 780.36770 248.7
[M+CH3COO]- 794.38335 271.8
[M+Na-2H]- 756.34417 258.7
[M]+ 735.36895 266.4
[M]- 735.37005 266.4
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.