CID 395076

Nsc699338

Structural Information

Molecular Formula
C33H56N6O10Si2
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)N(C(=O)NCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O[Si](C)(C)C(C)(C)C)O
InChI
InChI=1S/C33H56N6O10Si2/c1-19-16-37(30(43)35-27(19)40)25-13-21(24(48-25)18-46-50(9,10)32(3,4)5)39(45)29(42)34-15-23-22(49-51(11,12)33(6,7)8)14-26(47-23)38-17-20(2)28(41)36-31(38)44/h16-17,21-26,45H,13-15,18H2,1-12H3,(H,34,42)(H,35,40,43)(H,36,41,44)
InChIKey
RTVDTLCUZFDLKW-UHFFFAOYSA-N
Compound name
3-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

752.3596 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.36688 250.7
[M+Na]+ 775.34882 256.3
[M-H]- 751.35232 247.3
[M+NH4]+ 770.39342 251.9
[M+K]+ 791.32276 247.5
[M+H-H2O]+ 735.35686 234.7
[M+HCOO]- 797.35780 253.3
[M+CH3COO]- 811.37345 287.4
[M+Na-2H]- 773.33427 259.6
[M]+ 752.35905 263.0
[M]- 752.36015 263.0
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.