CID 5274633

Acetic acid, [[(8r)-8-(3,4-dihydro-5-methyl-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]oxo-, methyl ester

Structural Information

Molecular Formula
C26H43N3O11SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C(C3(C(O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)C(=O)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H43N3O11SSi2/c1-15-13-29(23(33)28-18(15)30)20-17(38-42(9,10)24(2,3)4)26(22(37-20)39-43(11,12)25(5,6)7)16(14-41(34,35)40-26)27-19(31)21(32)36-8/h13-14,17,20,22H,1-12H3,(H,27,31)(H,28,30,33)/t17?,20-,22?,26?/m1/s1
InChIKey
JKZRYXIMYASQBW-JZPJPZEZSA-N
Compound name
methyl 2-[[(8R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

661.2157 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.22298 233.3
[M+Na]+ 684.20492 237.1
[M-H]- 660.20842 239.7
[M+NH4]+ 679.24952 237.2
[M+K]+ 700.17886 241.6
[M+H-H2O]+ 644.21296 232.7
[M+HCOO]- 706.21390 236.8
[M+CH3COO]- 720.22955 261.0
[M+Na-2H]- 682.19037 220.8
[M]+ 661.21515 246.2
[M]- 661.21625 246.2
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.