CID 3005406

Nsc698085

Structural Information

Molecular Formula
C21H37NO4SSi
SMILES
CCOC1(C(=C(C1=O)CC(=C)C)C(=S)NCCO[Si](C)(C)C(C)(C)C)OCC
InChI
InChI=1S/C21H37NO4SSi/c1-10-24-21(25-11-2)17(16(18(21)23)14-15(3)4)19(27)22-12-13-26-28(8,9)20(5,6)7/h3,10-14H2,1-2,4-9H3,(H,22,27)
InChIKey
CXTJAJDQXRSDNW-UHFFFAOYSA-N
Compound name
N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,4-diethoxy-2-(2-methylprop-2-enyl)-3-oxocyclobutene-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.22125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.22853 206.7
[M+Na]+ 450.21047 207.4
[M-H]- 426.21397 208.2
[M+NH4]+ 445.25507 212.8
[M+K]+ 466.18441 208.1
[M+H-H2O]+ 410.21851 195.0
[M+HCOO]- 472.21945 216.0
[M+CH3COO]- 486.23510 232.6
[M+Na-2H]- 448.19592 202.9
[M]+ 427.22070 223.8
[M]- 427.22180 223.8
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.