CID 13670432

1(2h)-pyrimidinecarboxamide, 3,4-dihydro-n-(3-((3-(dimethyl(1-methylethyl)silyl)propyl)thio)propyl)-2,4-dioxo-5-fluoro-

Structural Information

Molecular Formula
C16H28FN3O3SSi
SMILES
CC(C)[Si](C)(C)CCCSCCCNC(=O)N1C=C(C(=O)NC1=O)F
InChI
InChI=1S/C16H28FN3O3SSi/c1-12(2)25(3,4)10-6-9-24-8-5-7-18-15(22)20-11-13(17)14(21)19-16(20)23/h11-12H,5-10H2,1-4H3,(H,18,22)(H,19,21,23)
InChIKey
UHTUCFYQAZERLZ-UHFFFAOYSA-N
Compound name
N-[3-[3-[dimethyl(propan-2-yl)silyl]propylsulfanyl]propyl]-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 190.2
[M+Na]+ 412.14968 195.8
[M-H]- 388.15318 187.9
[M+NH4]+ 407.19428 199.6
[M+K]+ 428.12362 190.4
[M+H-H2O]+ 372.15772 181.2
[M+HCOO]- 434.15866 200.1
[M+CH3COO]- 448.17431 217.6
[M+Na-2H]- 410.13513 187.4
[M]+ 389.15991 193.6
[M]- 389.16101 193.6
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