CID 13670434

103579-46-0

Structural Information

Molecular Formula
C16H28FN3O3SSi
SMILES
CC(C)(C)[Si](C)(C)CCCSCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C16H28FN3O3SSi/c1-16(2,3)25(4,5)10-6-8-24-9-7-18-14(22)20-11-12(17)13(21)19-15(20)23/h11H,6-10H2,1-5H3,(H,18,22)(H,19,21,23)
InChIKey
OMKHNPYTRLXSMI-UHFFFAOYSA-N
Compound name
N-[2-[3-[tert-butyl(dimethyl)silyl]propylsulfanyl]ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.16046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16774 191.5
[M+Na]+ 412.14968 197.7
[M-H]- 388.15318 189.4
[M+NH4]+ 407.19428 201.1
[M+K]+ 428.12362 192.4
[M+H-H2O]+ 372.15772 183.0
[M+HCOO]- 434.15866 200.9
[M+CH3COO]- 448.17431 216.6
[M+Na-2H]- 410.13513 190.9
[M]+ 389.15991 194.8
[M]- 389.16101 194.8
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

patents stripe