CID 5274646

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

Structural Information

Molecular Formula
C30H50N4O12SSi2
SMILES
CCOC(=O)C(=O)CNC(=O)NC1=CS(=O)(=O)OC12C([C@@H](OC2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)N(C3=O)C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H50N4O12SSi2/c1-14-42-24(37)19(35)15-31-26(38)32-20-17-47(40,41)46-30(20)21(44-48(10,11)28(3,4)5)23(34-16-18(2)22(36)33(9)27(34)39)43-25(30)45-49(12,13)29(6,7)8/h16-17,21,23,25H,14-15H2,1-13H3,(H2,31,32,38)/t21?,23-,25?,30?/m1/s1
InChIKey
HGWPYWIKVWLVJB-CDRDVMCTSA-N
Compound name
ethyl 3-[[(8R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]carbamoylamino]-2-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

746.26843 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.27571 220.7
[M+Na]+ 769.25765 228.2
[M-H]- 745.26115 222.6
[M+NH4]+ 764.30225 224.2
[M+K]+ 785.23159 217.5
[M+H-H2O]+ 729.26569 208.7
[M+HCOO]- 791.26663 226.3
[M+CH3COO]- 805.28228 282.5
[M+Na-2H]- 767.24310 237.5
[M]+ 746.26788 237.4
[M]- 746.26898 237.4
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.