CID 468100

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

Structural Information

Molecular Formula
C24H39N3O8SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COCC=C(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H39N3O8SSi/c1-15(2)10-11-32-13-18-24(17(25)14-36(30,31)35-24)19(34-37(8,9)23(4,5)6)21(33-18)27-12-16(3)20(28)26(7)22(27)29/h10,12,14,18-19,21H,11,13,25H2,1-9H3/t18-,19+,21-,24?/m1/s1
InChIKey
QWLSGUOKTRJDNA-FVYFYLNTSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(3-methylbut-2-enoxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.2227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.22998 220.9
[M+Na]+ 580.21192 228.8
[M-H]- 556.21542 228.8
[M+NH4]+ 575.25652 229.6
[M+K]+ 596.18586 229.1
[M+H-H2O]+ 540.21996 218.2
[M+HCOO]- 602.22090 229.5
[M+CH3COO]- 616.23655 249.4
[M+Na-2H]- 578.19737 221.0
[M]+ 557.22215 232.6
[M]- 557.22325 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.