CID 472615

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-oxo-2,9-dioxa-7-azaspiro[4.4]non-6-en-3-yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H44N4O7Si2
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(=NC(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H44N4O7Si2/c1-15-13-29(22(32)28(8)18(15)30)19-17(36-38(11,12)24(5,6)7)25(20(26)27-21(31)35-25)16(34-19)14-33-37(9,10)23(2,3)4/h13,16-17,19H,14H2,1-12H3,(H2,26,27,31)/t16-,17+,19-,25?/m1/s1
InChIKey
QPMMAJWLXWPKMF-GHVFNSHTSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxo-1,7-dioxa-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

568.27484 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.28212 228.8
[M+Na]+ 591.26406 235.6
[M-H]- 567.26756 235.9
[M+NH4]+ 586.30866 234.1
[M+K]+ 607.23800 237.0
[M+H-H2O]+ 551.27210 224.5
[M+HCOO]- 613.27304 236.9
[M+CH3COO]- 627.28869 254.1
[M+Na-2H]- 589.24951 230.7
[M]+ 568.27429 237.8
[M]- 568.27539 237.8
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.