CID 5274644

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]amino]carbonyl]-, ethyl ester

Structural Information

Molecular Formula
C28H48N4O11SSi2
SMILES
CCOC(=O)NC(=O)NC1=CS(=O)(=O)OC12C([C@@H](OC2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)N(C3=O)C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H48N4O11SSi2/c1-14-39-24(35)30-23(34)29-18-16-44(37,38)43-28(18)19(41-45(10,11)26(3,4)5)21(32-15-17(2)20(33)31(9)25(32)36)40-22(28)42-46(12,13)27(6,7)8/h15-16,19,21-22H,14H2,1-13H3,(H2,29,30,34,35)/t19?,21-,22?,28?/m1/s1
InChIKey
NCRKPJXTBYYSDX-SUNOENSLSA-N
Compound name
ethyl 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]carbamoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

704.2579 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.26518 217.5
[M+Na]+ 727.24712 225.5
[M-H]- 703.25062 218.5
[M+NH4]+ 722.29172 220.9
[M+K]+ 743.22106 215.2
[M+H-H2O]+ 687.25516 205.7
[M+HCOO]- 749.25610 223.1
[M+CH3COO]- 763.27175 274.3
[M+Na-2H]- 725.23257 233.1
[M]+ 704.25735 232.6
[M]- 704.25845 232.6
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.