CID 472000

(1-{9-amino-3,6-dioxa-7,7-dioxo-1-(1,1,2,2-tetramethyl-1-silapropoxy)-4-[(1,1,2,2-tetramethyl-1-silapropoxy)methyl]-7-thiaspiro[4.4]non-8-en-2-yl}(1,2,3-triazol-5-yl))-n-cyclopropylcarboxamide

Structural Information

Molecular Formula
C25H45N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C(=CN=N3)C(=O)NC4CC4)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)34-14-19-25(18(26)15-38(32,33)37-25)20(36-40(9,10)24(4,5)6)22(35-19)30-17(13-27-29-30)21(31)28-16-11-12-16/h13,15-16,19-20,22H,11-12,14,26H2,1-10H3,(H,28,31)
InChIKey
OSRJSTVCBMWMGK-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]-N-cyclopropyltriazole-4-carboxamide
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 227.3
[M+Na]+ 638.24702 231.7
[M-H]- 614.25052 236.3
[M+NH4]+ 633.29162 229.5
[M+K]+ 654.22096 233.2
[M+H-H2O]+ 598.25506 227.8
[M+HCOO]- 660.25600 231.8
[M+CH3COO]- 674.27165 256.0
[M+Na-2H]- 636.23247 231.2
[M]+ 615.25725 239.0
[M]- 615.25835 239.0
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.