CID 471999

(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-(methylethyl)carboxamide

Structural Information

Molecular Formula
C25H47N5O7SSi2
SMILES
CC(C)NC(=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/c1-16(2)28-21(31)17-13-27-29-30(17)22-20(36-40(11,12)24(6,7)8)25(18(26)15-38(32,33)37-25)19(35-22)14-34-39(9,10)23(3,4)5/h13,15-16,19-20,22H,14,26H2,1-12H3,(H,28,31)
InChIKey
XIUYJLXAAOBKIJ-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-propan-2-yltriazole-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 232.3
[M+Na]+ 640.26272 235.3
[M-H]- 616.26622 238.7
[M+NH4]+ 635.30732 239.0
[M+K]+ 656.23666 238.9
[M+H-H2O]+ 600.27076 231.6
[M+HCOO]- 662.27170 236.7
[M+CH3COO]- 676.28735 258.2
[M+Na-2H]- 638.24817 235.8
[M]+ 617.27295 242.0
[M]- 617.27405 242.0
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.