CID 472617

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thia-7-azaspiro[4.4]non-6-en-3-yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H44N4O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=NS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44N4O8SSi2/c1-15-13-28(21(30)27(8)18(15)29)19-17(35-39(11,12)23(5,6)7)24(20(25)26-37(31,32)36-24)16(34-19)14-33-38(9,10)22(2,3)4/h13,16-17,19H,14H2,1-12H3,(H2,25,26)/t16-,17+,19-,24?/m1/s1
InChIKey
LGGWVUNWKZYMIS-CAENADCCSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thia-3-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

604.2418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.24908 228.8
[M+Na]+ 627.23102 236.1
[M-H]- 603.23452 235.5
[M+NH4]+ 622.27562 234.9
[M+K]+ 643.20496 238.1
[M+H-H2O]+ 587.23906 226.7
[M+HCOO]- 649.24000 233.5
[M+CH3COO]- 663.25565 255.5
[M+Na-2H]- 625.21647 233.5
[M]+ 604.24125 241.0
[M]- 604.24235 241.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.