CID 472002

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

Structural Information

Molecular Formula
C25H45N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C(=CN=N3)C(=O)N4CCC4)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C25H45N5O7SSi2/c1-23(2,3)39(7,8)34-15-19-25(18(26)16-38(32,33)37-25)20(36-40(9,10)24(4,5)6)22(35-19)30-17(14-27-28-30)21(31)29-12-11-13-29/h14,16,19-20,22H,11-13,15,26H2,1-10H3
InChIKey
GYVYXSHUFNVEJN-UHFFFAOYSA-N
Compound name
[3-[4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]triazol-4-yl]-(azetidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

615.2578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.26508 232.0
[M+Na]+ 638.24702 232.0
[M-H]- 614.25052 239.2
[M+NH4]+ 633.29162 230.9
[M+K]+ 654.22096 238.2
[M+H-H2O]+ 598.25506 225.2
[M+HCOO]- 660.25600 233.1
[M+CH3COO]- 674.27165 254.3
[M+Na-2H]- 636.23247 232.3
[M]+ 615.25725 247.8
[M]- 615.25835 247.8
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.