CID 454026

Spirooxathiolditbsribo-3mec

Structural Information

Molecular Formula
C24H46N4O7SSi2
SMILES
CC1=CN(C(=O)NC1N)[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/C24H46N4O7SSi2/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/h12,14,17-20H,13,25-26H2,1-11H3,(H,27,29)/t17-,18+,19?,20-,24?/m1/s1
InChIKey
HNYXBFNKBZKHAX-BZIDBBCFSA-N
Compound name
6-amino-3-[(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-methyl-1,6-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

590.2626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.26988 227.7
[M+Na]+ 613.25182 231.2
[M-H]- 589.25532 232.1
[M+NH4]+ 608.29642 234.1
[M+K]+ 629.22576 232.5
[M+H-H2O]+ 573.25986 226.2
[M+HCOO]- 635.26080 229.4
[M+CH3COO]- 649.27645 253.9
[M+Na-2H]- 611.23727 231.2
[M]+ 590.26205 232.6
[M]- 590.26315 232.6
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.