CID 5274652

2-[[(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]amino]acetic acid

Structural Information

Molecular Formula
C26H45N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2C(C3(C(O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NCC(=O)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H45N3O10SSi2/c1-16-14-29(23(33)28(8)20(16)32)21-19(37-41(9,10)24(2,3)4)26(22(36-21)38-42(11,12)25(5,6)7)17(27-13-18(30)31)15-40(34,35)39-26/h14-15,19,21-22,27H,13H2,1-12H3,(H,30,31)/t19?,21-,22?,26?/m1/s1
InChIKey
IEEDJMWJCFRHKA-YHCRIBGTSA-N
Compound name
2-[[(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]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

647.2364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.24368 232.6
[M+Na]+ 670.22562 237.4
[M-H]- 646.22912 239.2
[M+NH4]+ 665.27022 237.4
[M+K]+ 686.19956 241.0
[M+H-H2O]+ 630.23366 231.7
[M+HCOO]- 692.23460 236.6
[M+CH3COO]- 706.25025 261.7
[M+Na-2H]- 668.21107 238.9
[M]+ 647.23585 245.9
[M]- 647.23695 245.9
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.