CID 6475117

3-n-[((e)-and (z)-1,3-diphenyl-3-oxoprop-1-en-1-yl)oxypropyl]tsao-t

Structural Information

Molecular Formula
C42H59N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCO/C(=C\C(=O)C2=CC=CC=C2)/C3=CC=CC=C3)[C@H]4[C@@H](C5([C@H](O4)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O5)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C42H59N3O10SSi2/c1-29-26-45(39(48)44(37(29)47)23-18-24-51-33(31-21-16-13-17-22-31)25-32(46)30-19-14-12-15-20-30)38-36(54-58(10,11)41(5,6)7)42(34(43)28-56(49,50)55-42)35(53-38)27-52-57(8,9)40(2,3)4/h12-17,19-22,25-26,28,35-36,38H,18,23-24,27,43H2,1-11H3/b33-25-/t35-,36+,38-,42?/m1/s1
InChIKey
HWRBBSNXYKBEFW-WZPYPPJTSA-N
Compound name
1-[(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-3-[3-[(Z)-3-oxo-1,3-diphenylprop-1-enoxy]propyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

853.34595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 854.35323 249.2
[M+Na]+ 876.33517 260.8
[M-H]- 852.33867 252.9
[M+NH4]+ 871.37977 254.3
[M+K]+ 892.30911 246.8
[M+H-H2O]+ 836.34321 234.3
[M+HCOO]- 898.34415 255.8
[M+CH3COO]- 912.35980 298.3
[M+Na-2H]- 874.32062 264.0
[M]+ 853.34540 273.7
[M]- 853.34650 273.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.