CID 5274637

Acetamide, 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]-

Structural Information

Molecular Formula
C26H45N3O9SSi2
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)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H45N3O9SSi2/c1-16-14-29(23(32)28(9)20(16)31)21-19(36-40(10,11)24(3,4)5)26(18(27-17(2)30)15-39(33,34)38-26)22(35-21)37-41(12,13)25(6,7)8/h14-15,19,21-22H,1-13H3,(H,27,30)/t19?,21-,22?,26?/m1/s1
InChIKey
RMOAIKHYARTHKD-YHCRIBGTSA-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]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

631.2415 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.24878 230.0
[M+Na]+ 654.23072 236.1
[M-H]- 630.23422 238.1
[M+NH4]+ 649.27532 236.4
[M+K]+ 670.20466 239.3
[M+H-H2O]+ 614.23876 228.9
[M+HCOO]- 676.23970 235.4
[M+CH3COO]- 690.25535 260.6
[M+Na-2H]- 652.21617 235.8
[M]+ 631.24095 243.7
[M]- 631.24205 243.7
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.