CID 470539

3-n-(10-acetyl-11-oxododecyl) tsao-t

Structural Information

Molecular Formula
C38H67N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCCCCC(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/C38H67N3O10SSi2/c1-26-23-41(35(45)40(33(26)44)22-20-18-16-14-15-17-19-21-29(27(2)42)28(3)43)34-32(50-54(12,13)37(7,8)9)38(30(39)25-52(46,47)51-38)31(49-34)24-48-53(10,11)36(4,5)6/h23,25,29,31-32,34H,14-22,24,39H2,1-13H3/t31-,32+,34-,38?/m1/s1
InChIKey
UYJZTXPEYQLCPV-YXGAQAPVSA-N
Compound name
3-(10-acetyl-11-oxododecyl)-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

813.40857 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 814.41585 235.7
[M+Na]+ 836.39779 244.7
[M-H]- 812.40129 267.6
[M+NH4]+ 831.44239 276.0
[M+K]+ 852.37173 231.7
[M+H-H2O]+ 796.40583 271.3
[M+HCOO]- 858.40677 281.9
[M+CH3COO]- 872.42242 295.6
[M+Na-2H]- 834.38324 252.4
[M]+ 813.40802 253.6
[M]- 813.40912 253.6
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.