CID 454465

141684-49-3

Structural Information

Molecular Formula
C18H29N3O7SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2CC3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N
InChI
InChI=1S/C18H29N3O7SSi/c1-11-8-21(16(23)20-15(11)22)14-7-18(12(19)10-29(24,25)28-18)13(27-14)9-26-30(5,6)17(2,3)4/h8,10,13-14H,7,9,19H2,1-6H3,(H,20,22,23)/t13-,14-,18?/m1/s1
InChIKey
CRPDUJBVAQMMLM-LPOUJYBBSA-N
Compound name
1-[(6R,8R)-4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

459.14954 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.15682 198.1
[M+Na]+ 482.13876 207.3
[M-H]- 458.14226 205.1
[M+NH4]+ 477.18336 209.9
[M+K]+ 498.11270 206.8
[M+H-H2O]+ 442.14680 195.2
[M+HCOO]- 504.14774 207.9
[M+CH3COO]- 518.16339 225.5
[M+Na-2H]- 480.12421 201.1
[M]+ 459.14899 205.2
[M]- 459.15009 205.2
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.