CID 6475116

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

Structural Information

Molecular Formula
C45H65N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCO/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/C45H65N3O10SSi2/c1-32-29-48(41-39(57-61(10,11)44(5,6)7)45(37(46)31-59(52,53)58-45)38(56-41)30-55-60(8,9)43(2,3)4)42(51)47(40(32)50)26-20-12-13-21-27-54-36(34-24-18-15-19-25-34)28-35(49)33-22-16-14-17-23-33/h14-19,22-25,28-29,31,38-39,41H,12-13,20-21,26-27,30,46H2,1-11H3/b36-28+/t38-,39+,41-,45?/m1/s1
InChIKey
HCDQVQJXTHIODM-ZUCJYTSJSA-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-[6-[(E)-3-oxo-1,3-diphenylprop-1-enoxy]hexyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

895.39294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 896.40022 257.0
[M+Na]+ 918.38216 268.6
[M-H]- 894.38566 260.7
[M+NH4]+ 913.42676 262.1
[M+K]+ 934.35610 254.2
[M+H-H2O]+ 878.39020 241.9
[M+HCOO]- 940.39114 263.4
[M+CH3COO]- 954.40679 305.8
[M+Na-2H]- 916.36761 272.1
[M]+ 895.39239 281.6
[M]- 895.39349 281.6
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.