CID 5274647

1-imidazolidineacetic acid, 3-[[[(8r)-8-(3,4-dihydro-3,5-dimethyl-2,4-dioxo-1(2h)-pyrimidinyl)-6,9-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-4-yl]amino]carbonyl]-2,5-dioxo-, ethyl ester

Structural Information

Molecular Formula
C32H51N5O13SSi2
SMILES
CCOC(=O)CN1C(=O)CN(C1=O)C(=O)NC2=CS(=O)(=O)OC23C([C@@H](OC3O[Si](C)(C)C(C)(C)C)N4C=C(C(=O)N(C4=O)C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C32H51N5O13SSi2/c1-14-46-22(39)17-35-21(38)16-37(29(35)43)27(41)33-20-18-51(44,45)50-32(20)23(48-52(10,11)30(3,4)5)25(36-15-19(2)24(40)34(9)28(36)42)47-26(32)49-53(12,13)31(6,7)8/h15,18,23,25-26H,14,16-17H2,1-13H3,(H,33,41)/t23?,25-,26?,32?/m1/s1
InChIKey
CQEGURLDDFKZHL-BHMROTQVSA-N
Compound name
ethyl 2-[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]carbamoyl]-2,5-dioxoimidazolidin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

801.27423 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 802.28151 220.2
[M+Na]+ 824.26345 227.9
[M-H]- 800.26695 220.0
[M+NH4]+ 819.30805 222.8
[M+K]+ 840.23739 217.1
[M+H-H2O]+ 784.27149 208.2
[M+HCOO]- 846.27243 224.9
[M+CH3COO]- 860.28808 288.9
[M+Na-2H]- 822.24890 227.2
[M]+ 801.27368 231.0
[M]- 801.27478 231.0
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.