CID 456097

(1r,3r,4r)-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[5-(3-chloropropyl)triazol-1-yl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine

Structural Information

Molecular Formula
C24H45ClN4O6SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C(=CN=N3)CCCCl)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H45ClN4O6SSi2/c1-22(2,3)37(7,8)32-15-19-24(18(26)16-36(30,31)35-24)20(34-38(9,10)23(4,5)6)21(33-19)29-17(12-11-13-25)14-27-28-29/h14,16,19-21H,11-13,15,26H2,1-10H3/t19-,20+,21-,24?/m1/s1
InChIKey
ZFFMWZCVLWVLCZ-KYODYMDSSA-N
Compound name
(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-[5-(3-chloropropyl)triazol-1-yl]-2,2-dioxo-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

608.2287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.23598 234.8
[M+Na]+ 631.21792 240.5
[M-H]- 607.22142 241.4
[M+NH4]+ 626.26252 243.4
[M+K]+ 647.19186 241.2
[M+H-H2O]+ 591.22596 233.2
[M+HCOO]- 653.22690 235.7
[M+CH3COO]- 667.24255 250.8
[M+Na-2H]- 629.20337 237.0
[M]+ 608.22815 246.9
[M]- 608.22925 246.9
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.