CID 489866

Ethyl 2-[(n-{8-(3,5-dimethyl-2,4-dioxo(1,3-dihydropyrimidinyl))-3,3-dioxo-9-(1,1,2,2-tetramethyl-1-silapropoxy)-6-[(1,1,2,2-tetramethyl-1-silapropoxy)methyl]-4,7-dioxa-3-thiaspiro[4.4]non-1-enyl}carbamoyl)amino]acetateo

Structural Information

Molecular Formula
C30H52N4O11SSi2
SMILES
CCOC(=O)CNC(=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/C30H52N4O11SSi2/c1-14-41-22(35)15-31-26(37)32-20-18-46(39,40)45-30(20)21(17-42-47(10,11)28(3,4)5)43-25(23(30)44-48(12,13)29(6,7)8)34-16-19(2)24(36)33(9)27(34)38/h16,18,21,23,25H,14-15,17H2,1-13H3,(H2,31,32,37)/t21-,23+,25-,30?/m1/s1
InChIKey
ITBHAQPZHPCREP-COPPUQJJSA-N
Compound name
ethyl 2-[[(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]carbamoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

732.2892 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.29648 223.1
[M+Na]+ 755.27842 231.2
[M-H]- 731.28192 224.1
[M+NH4]+ 750.32302 226.5
[M+K]+ 771.25236 220.6
[M+H-H2O]+ 715.28646 211.2
[M+HCOO]- 777.28740 228.5
[M+CH3COO]- 791.30305 280.2
[M+Na-2H]- 753.26387 239.0
[M]+ 732.28865 238.4
[M]- 732.28975 238.4
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

No patent data available for this compound.