CID 472001

(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-cyclobutylcarboxamide

Structural Information

Molecular Formula
C26H47N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C(=CN=N3)C(=O)NC4CCC4)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C26H47N5O7SSi2/c1-24(2,3)40(7,8)35-15-20-26(19(27)16-39(33,34)38-26)21(37-41(9,10)25(4,5)6)23(36-20)31-18(14-28-30-31)22(32)29-17-12-11-13-17/h14,16-17,20-21,23H,11-13,15,27H2,1-10H3,(H,29,32)
InChIKey
MCCCOQDJMJUOLL-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-cyclobutyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

629.2735 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.28078 236.3
[M+Na]+ 652.26272 234.6
[M-H]- 628.26622 244.1
[M+NH4]+ 647.30732 235.3
[M+K]+ 668.23666 240.9
[M+H-H2O]+ 612.27076 229.2
[M+HCOO]- 674.27170 238.9
[M+CH3COO]- 688.28735 259.6
[M+Na-2H]- 650.24817 237.8
[M]+ 629.27295 251.2
[M]- 629.27405 251.2
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.