CID 470538

3-n-(8-acetyl-9-oxododecyl) tsao-t

Structural Information

Molecular Formula
C36H63N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCCC(C(=O)C)C(=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C36H63N3O10SSi2/c1-24-21-39(33(43)38(31(24)42)20-18-16-14-15-17-19-27(25(2)40)26(3)41)32-30(48-52(12,13)35(7,8)9)36(28(37)23-50(44,45)49-36)29(47-32)22-46-51(10,11)34(4,5)6/h21,23,27,29-30,32H,14-20,22,37H2,1-13H3/t29-,30+,32-,36?/m1/s1
InChIKey
OVTZKGYAEFDPFU-WEYLCVOCSA-N
Compound name
3-(8-acetyl-9-oxodecyl)-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-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

785.37726 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 786.38454 265.2
[M+Na]+ 808.36648 239.4
[M-H]- 784.36998 270.8
[M+NH4]+ 803.41108 269.6
[M+K]+ 824.34042 269.4
[M+H-H2O]+ 768.37452 264.0
[M+HCOO]- 830.37546 276.3
[M+CH3COO]- 844.39111 290.5
[M+Na-2H]- 806.35193 246.9
[M]+ 785.37671 248.1
[M]- 785.37781 248.1
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.