CID 65005

Tsao-t

Structural Information

Molecular Formula
C24H43N3O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([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/C24H43N3O8SSi2/c1-15-12-27(21(29)26-19(15)28)20-18(34-38(10,11)23(5,6)7)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(8,9)22(2,3)4/h12,14,17-18,20H,13,25H2,1-11H3,(H,26,28,29)/t17-,18+,20-,24-/m1/s1
InChIKey
YMSLYTIPSGCZRM-DSPLJNTKSA-N
Compound name
1-[(5R,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

61
References

2
Patents

589.23096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.23824 225.6
[M+Na]+ 612.22018 231.9
[M-H]- 588.22368 231.8
[M+NH4]+ 607.26478 232.8
[M+K]+ 628.19412 233.3
[M+H-H2O]+ 572.22822 224.0
[M+HCOO]- 634.22916 230.2
[M+CH3COO]- 648.24481 249.7
[M+Na-2H]- 610.20563 230.9
[M]+ 589.23041 235.5
[M]- 589.23151 235.5
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

patents stripe