CID 481038

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dioxo-1-(pyrrolidin-1-ylmethyl)-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
C23H38N4O7SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CN4CCCC4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H38N4O7SSi/c1-15-12-27(21(29)25(5)19(15)28)20-18(33-36(6,7)22(2,3)4)23(16(24)14-35(30,31)34-23)17(32-20)13-26-10-8-9-11-26/h12,14,17-18,20H,8-11,13,24H2,1-7H3/t17-,18+,20-,23?/m1/s1
InChIKey
RVXQZMRRZFNLAR-MLYQTBBXSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-(pyrrolidin-1-ylmethyl)-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

542.223 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.23028 218.5
[M+Na]+ 565.21222 226.6
[M-H]- 541.21572 228.9
[M+NH4]+ 560.25682 228.2
[M+K]+ 581.18616 226.9
[M+H-H2O]+ 525.22026 216.3
[M+HCOO]- 587.22120 226.6
[M+CH3COO]- 601.23685 244.2
[M+Na-2H]- 563.19767 216.6
[M]+ 542.22245 226.3
[M]- 542.22355 226.3
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.