CID 472003

(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-cyclopentylcarboxamide

Structural Information

Molecular Formula
C27H49N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C(=CN=N3)C(=O)NC4CCCC4)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C27H49N5O7SSi2/c1-25(2,3)41(7,8)36-16-21-27(20(28)17-40(34,35)39-27)22(38-42(9,10)26(4,5)6)24(37-21)32-19(15-29-31-32)23(33)30-18-13-11-12-14-18/h15,17-18,21-22,24H,11-14,16,28H2,1-10H3,(H,30,33)
InChIKey
BMPMQJKBFSQARG-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-cyclopentyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

643.2891 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.29638 236.6
[M+Na]+ 666.27832 238.2
[M-H]- 642.28182 246.0
[M+NH4]+ 661.32292 243.7
[M+K]+ 682.25226 242.1
[M+H-H2O]+ 626.28636 236.9
[M+HCOO]- 688.28730 241.1
[M+CH3COO]- 702.30295 259.6
[M+Na-2H]- 664.26377 238.5
[M]+ 643.28855 243.8
[M]- 643.28965 243.8
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.