CID 470042

Tert-butyl-[[(4s,6r)-2,2-dimethyl-4-(2,6,7-trichloroimidazo[1,2-a]pyridin-5-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-dimethyl-silane

Structural Information

Molecular Formula
C21H29Cl3N2O4Si
SMILES
CC1(OC2[C@H](O[C@H](C2O1)C3=C(C(=CC4=NC(=CN43)Cl)Cl)Cl)CO[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C21H29Cl3N2O4Si/c1-20(2,3)31(6,7)27-10-12-17-19(30-21(4,5)29-17)18(28-12)16-15(24)11(22)8-14-25-13(23)9-26(14)16/h8-9,12,17-19H,10H2,1-7H3/t12-,17?,18+,19?/m1/s1
InChIKey
WZGUCCWRWLVILN-LENLQWGZSA-N
Compound name
tert-butyl-[[(4S,6R)-2,2-dimethyl-4-(2,6,7-trichloroimidazo[1,2-a]pyridin-5-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.09622 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.10350 221.8
[M+Na]+ 529.08544 232.7
[M-H]- 505.08894 228.8
[M+NH4]+ 524.13004 234.3
[M+K]+ 545.05938 230.2
[M+H-H2O]+ 489.09348 218.2
[M+HCOO]- 551.09442 218.8
[M+CH3COO]- 565.11007 235.5
[M+Na-2H]- 527.07089 218.8
[M]+ 506.09567 233.2
[M]- 506.09677 233.2
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.