CID 5274641

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

Structural Information

Molecular Formula
C25H44N4O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2C(C3(C(O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H44N4O9SSi2/c1-15-13-29(22(32)28(8)18(15)30)19-17(36-40(9,10)23(2,3)4)25(16(27-21(26)31)14-39(33,34)38-25)20(35-19)37-41(11,12)24(5,6)7/h13-14,17,19-20H,1-12H3,(H3,26,27,31)/t17?,19-,20?,25?/m1/s1
InChIKey
NCOQTEITYAPXGF-YBHDAWFWSA-N
Compound name
[(8R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

632.23676 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.24404 231.7
[M+Na]+ 655.22598 237.0
[M-H]- 631.22948 239.2
[M+NH4]+ 650.27058 237.3
[M+K]+ 671.19992 240.2
[M+H-H2O]+ 615.23402 230.3
[M+HCOO]- 677.23496 237.5
[M+CH3COO]- 691.25061 263.0
[M+Na-2H]- 653.21143 237.8
[M]+ 632.23621 243.2
[M]- 632.23731 243.2
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.