CID 5938224

Nsc694920

Structural Information

Molecular Formula
C44H81N5O11Si4
SMILES
CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)C/C=[N+](/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-]
InChI
InChI=1S/C44H81N5O11Si4/c1-41(2,3)61(13,14)55-28-31-29(34(58-62(15,16)42(4,5)6)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/h22-26,29-31,34-38H,21,27-28H2,1-20H3,(H,45,50,52)(H,46,51,53)/b47-24-
InChIKey
JAFOIZRWTHFVIT-PARMVODLSA-N
Compound name
N-[[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]ethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

967.501 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 968.50828 266.6
[M+Na]+ 990.49022 275.9
[M-H]- 966.49372 267.6
[M+NH4]+ 985.53482 270.3
[M+K]+ 1006.4642 261.2
[M+H-H2O]+ 950.49826 252.6
[M+HCOO]- 1012.4992 271.5
[M+CH3COO]- 1026.5149 304.3
[M+Na-2H]- 988.47567 283.0
[M]+ 967.50045 288.5
[M]- 967.50155 288.5
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.