CID 489863

Ethyl n-[[(1r,3r,4r)-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-yl]carbamoyl]carbamate

Structural Information

Molecular Formula
C29H50N4O11SSi2
SMILES
CCOC(=O)NC(=O)NC1=CS(=O)(=O)OC12[C@H](O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)N(C3=O)C)C)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C29H50N4O11SSi2/c1-14-40-25(36)31-24(35)30-19-17-45(38,39)44-29(19)20(16-41-46(10,11)27(3,4)5)42-23(21(29)43-47(12,13)28(6,7)8)33-15-18(2)22(34)32(9)26(33)37/h15,17,20-21,23H,14,16H2,1-13H3,(H2,30,31,35,36)/t20-,21+,23-,29?/m1/s1
InChIKey
MQJWVVKKQFADKA-CHWATNBMSA-N
Compound name
ethyl N-[[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]carbamoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

718.27356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.28084 220.2
[M+Na]+ 741.26278 228.3
[M-H]- 717.26628 221.3
[M+NH4]+ 736.30738 223.6
[M+K]+ 757.23672 217.8
[M+H-H2O]+ 701.27082 208.4
[M+HCOO]- 763.27176 225.7
[M+CH3COO]- 777.28741 277.0
[M+Na-2H]- 739.24823 236.0
[M]+ 718.27301 235.4
[M]- 718.27411 235.4
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.