CID 483584

4-amino-1-[(1r,2r,4r)-6-amino-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8-dioxo-3,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-2-yl]-5-methyl-pyrimidin-2-one

Structural Information

Molecular Formula
C23H42N4O7SSi2
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3([C@H](O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H42N4O7SSi2/c1-14-12-27(20(28)26-17(14)25)18-16(32-36(8,9)21(2,3)4)23(15(24)13-35(29,30)34-23)19(31-18)33-37(10,11)22(5,6)7/h12-13,16,18-19H,24H2,1-11H3,(H2,25,26,28)/t16-,18+,19+,23?/m0/s1
InChIKey
NTAXTNMDOZZEMU-AQCDHGOSSA-N
Compound name
4-amino-1-[(6R,8R,9R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-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

0
References

0
Patents

574.23126 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.23854 223.8
[M+Na]+ 597.22048 230.1
[M-H]- 573.22398 230.8
[M+NH4]+ 592.26508 231.7
[M+K]+ 613.19442 231.9
[M+H-H2O]+ 557.22852 221.6
[M+HCOO]- 619.22946 230.0
[M+CH3COO]- 633.24511 252.2
[M+Na-2H]- 595.20593 229.0
[M]+ 574.23071 232.6
[M]- 574.23181 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.