CID 453857

Tsao-m5c

Structural Information

Molecular Formula
C24H44N4O7SSi2
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44N4O7SSi2/c1-15-12-28(21(29)27-19(15)26)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H2,26,27,29)/t17-,18+,20-,24?/m1/s1
InChIKey
WXVQHOFJJQTAAY-CXFIUDIKSA-N
Compound name
4-amino-1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

588.24695 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.25423 227.7
[M+Na]+ 611.23617 233.6
[M-H]- 587.23967 234.6
[M+NH4]+ 606.28077 235.1
[M+K]+ 627.21011 235.2
[M+H-H2O]+ 571.24421 225.4
[M+HCOO]- 633.24515 233.7
[M+CH3COO]- 647.26080 254.9
[M+Na-2H]- 609.22162 232.6
[M]+ 588.24640 236.8
[M]- 588.24750 236.8
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.