CID 472004

(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-ethyl-n-methylcarboxamide

Structural Information

Molecular Formula
C25H47N5O7SSi2
SMILES
CCN(C)C(=O)C1=CN=NN1C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H47N5O7SSi2/c1-13-29(8)21(31)17-14-27-28-30(17)22-20(36-40(11,12)24(5,6)7)25(18(26)16-38(32,33)37-25)19(35-22)15-34-39(9,10)23(2,3)4/h14,16,19-20,22H,13,15,26H2,1-12H3
InChIKey
MOXGJNZJPUUSIH-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-ethyl-N-methyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

617.2735 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.28078 232.0
[M+Na]+ 640.26272 235.5
[M-H]- 616.26622 239.7
[M+NH4]+ 635.30732 239.3
[M+K]+ 656.23666 239.7
[M+H-H2O]+ 600.27076 231.1
[M+HCOO]- 662.27170 237.9
[M+CH3COO]- 676.28735 260.1
[M+Na-2H]- 638.24817 235.7
[M]+ 617.27295 243.4
[M]- 617.27405 243.4
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.