CID 396158

Nsc701706

Structural Information

Molecular Formula
C44H83N5O11Si4
SMILES
CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)CCN(CC3C(C(C(O3)N4C=CC(=O)NC4=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C44H83N5O11Si4/c1-41(2,3)61(13,14)55-28-31-34(58-62(15,16)42(4,5)6)29(37(57-31)48-25-22-32(50)45-39(48)52)21-24-47(54)27-30-35(59-63(17,18)43(7,8)9)36(60-64(19,20)44(10,11)12)38(56-30)49-26-23-33(51)46-40(49)53/h22-23,25-26,29-31,34-38,54H,21,24,27-28H2,1-20H3,(H,45,50,52)(H,46,51,53)
InChIKey
GSQZGQPIHVSZKZ-UHFFFAOYSA-N
Compound name
1-[3-[2-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl-hydroxyamino]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

969.5166 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 970.52388 274.7
[M+Na]+ 992.50582 283.4
[M-H]- 968.50932 273.8
[M+NH4]+ 987.55042 276.7
[M+K]+ 1008.4798 268.0
[M+H-H2O]+ 952.51386 258.6
[M+HCOO]- 1014.5148 277.8
[M+CH3COO]- 1028.5305 315.5
[M+Na-2H]- 990.49127 283.0
[M]+ 969.51605 284.5
[M]- 969.51715 284.5
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.