CID 5274639

Carbamic acid, [(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]-, methyl ester

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)NC(=O)OC)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H45N3O10SSi2/c1-16-14-29(23(32)28(8)19(16)30)20-18(37-41(10,11)24(2,3)4)26(21(36-20)38-42(12,13)25(5,6)7)17(27-22(31)35-9)15-40(33,34)39-26/h14-15,18,20-21H,1-13H3,(H,27,31)/t18?,20-,21?,26?/m1/s1
InChIKey
RJUKHKQZFKDOLE-CUUUMTMMSA-N
Compound name
methyl N-[(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]carbamate
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 232.3
[M+Na]+ 670.22562 237.9
[M-H]- 646.22912 240.4
[M+NH4]+ 665.27022 238.0
[M+K]+ 686.19956 242.1
[M+H-H2O]+ 630.23366 231.3
[M+HCOO]- 692.23460 237.9
[M+CH3COO]- 706.25025 262.3
[M+Na-2H]- 668.21107 238.9
[M]+ 647.23585 247.3
[M]- 647.23695 247.3
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.