CID 394275

Nsc697601

Structural Information

Molecular Formula
C34H59N5O9Si2
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)CCN(CC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C34H59N5O9Si2/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/h17-18,23-28,44H,13-16,19-20H2,1-12H3,(H,35,40,42)(H,36,41,43)
InChIKey
WBOGVXDANVCQOI-UHFFFAOYSA-N
Compound name
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-hydroxyamino]ethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

737.38513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.39241 250.0
[M+Na]+ 760.37435 256.7
[M-H]- 736.37785 246.1
[M+NH4]+ 755.41895 251.2
[M+K]+ 776.34829 246.4
[M+H-H2O]+ 720.38239 234.4
[M+HCOO]- 782.38333 252.7
[M+CH3COO]- 796.39898 283.0
[M+Na-2H]- 758.35980 256.5
[M]+ 737.38458 259.7
[M]- 737.38568 259.7
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.