CID 483581

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

Structural Information

Molecular Formula
C25H43N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C12C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C)N3C=CC(=O)N(C3=O)CC=C
InChI
InChI=1S/C25H43N3O8SSi2/c1-12-14-27-18(29)13-15-28(22(27)30)20-19(34-38(8,9)23(2,3)4)25(17(26)16-37(31,32)36-25)21(33-20)35-39(10,11)24(5,6)7/h12-13,15-16,19-21H,1,14,26H2,2-11H3/t19-,20+,21+,25?/m0/s1
InChIKey
CUCAFLBDIVMIQO-FNGGWZMFSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

601.23096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 602.23824 228.3
[M+Na]+ 624.22018 234.9
[M-H]- 600.22368 235.7
[M+NH4]+ 619.26478 235.6
[M+K]+ 640.19412 236.2
[M+H-H2O]+ 584.22822 226.3
[M+HCOO]- 646.22916 234.2
[M+CH3COO]- 660.24481 253.7
[M+Na-2H]- 622.20563 233.5
[M]+ 601.23041 239.5
[M]- 601.23151 239.5
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.