CID 5274642

1-[(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]-3-ethyl-urea

Structural Information

Molecular Formula
C27H48N4O9SSi2
SMILES
CCNC(=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/C27H48N4O9SSi2/c1-14-28-23(33)29-18-16-41(35,36)40-27(18)19(38-42(10,11)25(3,4)5)21(31-15-17(2)20(32)30(9)24(31)34)37-22(27)39-43(12,13)26(6,7)8/h15-16,19,21-22H,14H2,1-13H3,(H2,28,29,33)/t19?,21-,22?,27?/m1/s1
InChIKey
JIFNHZAHNSULPI-SCHHMWRCSA-N
Compound name
1-[(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]-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

660.26807 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.27535 239.0
[M+Na]+ 683.25729 243.5
[M-H]- 659.26079 246.7
[M+NH4]+ 678.30189 243.9
[M+K]+ 699.23123 246.8
[M+H-H2O]+ 643.26533 237.4
[M+HCOO]- 705.26627 244.9
[M+CH3COO]- 719.28192 268.2
[M+Na-2H]- 681.24274 245.4
[M]+ 660.26752 252.0
[M]- 660.26862 252.0
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.