CID 470537

3-n-(7-acetyl-8-oxododecyl) tsao-t

Structural Information

Molecular Formula
C35H61N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCC(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/C35H61N3O10SSi2/c1-23-20-38(32(42)37(30(23)41)19-17-15-14-16-18-26(24(2)39)25(3)40)31-29(47-51(12,13)34(7,8)9)35(27(36)22-49(43,44)48-35)28(46-31)21-45-50(10,11)33(4,5)6/h20,22,26,28-29,31H,14-19,21,36H2,1-13H3/t28-,29+,31-,35?/m1/s1
InChIKey
DRZCBAKDNHPIPH-ANGUOSBQSA-N
Compound name
3-(7-acetyl-8-oxononyl)-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

2
References

0
Patents

771.36163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 772.36891 261.4
[M+Na]+ 794.35085 262.3
[M-H]- 770.35435 267.2
[M+NH4]+ 789.39545 266.4
[M+K]+ 810.32479 266.1
[M+H-H2O]+ 754.35889 260.3
[M+HCOO]- 816.35983 273.5
[M+CH3COO]- 830.37548 287.9
[M+Na-2H]- 792.33630 244.1
[M]+ 771.36108 245.4
[M]- 771.36218 245.4
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.