CID 5274645

2-propenamide, n-[[[(8r)-8-(3,4-dihydro-3,5-dimethyl-2,4-dioxo-1(2h)-pyrimidinyl)-6,9-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-4-yl]amino]carbonyl]-2-methyl-

Structural Information

Molecular Formula
C29H48N4O10SSi2
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)NC(=O)C(=C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H48N4O10SSi2/c1-17(2)21(34)31-25(36)30-19-16-44(38,39)43-29(19)20(41-45(11,12)27(4,5)6)23(33-15-18(3)22(35)32(10)26(33)37)40-24(29)42-46(13,14)28(7,8)9/h15-16,20,23-24H,1H2,2-14H3,(H2,30,31,34,36)/t20?,23-,24?,29?/m1/s1
InChIKey
XBYMCVYKHQZNJU-LLTLDIPSSA-N
Compound name
N-[[(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]carbamoyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

700.26294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.27022 215.4
[M+Na]+ 723.25216 223.6
[M-H]- 699.25566 217.5
[M+NH4]+ 718.29676 219.3
[M+K]+ 739.22610 212.9
[M+H-H2O]+ 683.26020 203.4
[M+HCOO]- 745.26114 221.5
[M+CH3COO]- 759.27679 275.6
[M+Na-2H]- 721.23761 232.5
[M]+ 700.26239 233.9
[M]- 700.26349 233.9
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.