CID 456098

(1r,3r,4r)-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-3-(triazol-1-yl)-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine

Structural Information

Molecular Formula
C21H40N4O6SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=CN=N3)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C21H40N4O6SSi2/c1-19(2,3)33(7,8)28-13-16-21(15(22)14-32(26,27)31-21)17(30-34(9,10)20(4,5)6)18(29-16)25-12-11-23-24-25/h11-12,14,16-18H,13,22H2,1-10H3/t16-,17+,18-,21?/m1/s1
InChIKey
PWQJWKRSKZJPFU-JAQBAERBSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-8-(triazol-1-yl)-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

532.2207 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.22798 215.6
[M+Na]+ 555.20992 221.6
[M-H]- 531.21342 222.2
[M+NH4]+ 550.25452 226.1
[M+K]+ 571.18386 224.0
[M+H-H2O]+ 515.21796 214.2
[M+HCOO]- 577.21890 222.0
[M+CH3COO]- 591.23455 238.2
[M+Na-2H]- 553.19537 219.9
[M]+ 532.22015 224.9
[M]- 532.22125 224.9
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.