CID 471998

(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-ethylcarboxamide

Structural Information

Molecular Formula
C24H45N5O7SSi2
SMILES
CCNC(=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/C24H45N5O7SSi2/c1-12-26-20(30)16-13-27-28-29(16)21-19(35-39(10,11)23(5,6)7)24(17(25)15-37(31,32)36-24)18(34-21)14-33-38(8,9)22(2,3)4/h13,15,18-19,21H,12,14,25H2,1-11H3,(H,26,30)
InChIKey
KOGUQALCHVTGNS-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-ethyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

603.2578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.26508 230.2
[M+Na]+ 626.24702 233.9
[M-H]- 602.25052 236.6
[M+NH4]+ 621.29162 237.4
[M+K]+ 642.22096 236.9
[M+H-H2O]+ 586.25506 229.1
[M+HCOO]- 648.25600 235.8
[M+CH3COO]- 662.27165 254.6
[M+Na-2H]- 624.23247 234.5
[M]+ 603.25725 240.1
[M]- 603.25835 240.1
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.