CID 387541

Nsc681451

Structural Information

Molecular Formula
C15H18FN3O3
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NN4C=C(C(=O)NC4=O)F
InChI
InChI=1S/C15H18FN3O3/c16-11-7-19(14(22)17-12(11)20)18-13(21)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,18,21)(H,17,20,22)
InChIKey
PDKDCUWYURDJIJ-UHFFFAOYSA-N
Compound name
N-(5-fluoro-2,4-dioxopyrimidin-1-yl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14048 165.8
[M+Na]+ 330.12242 169.8
[M-H]- 306.12592 159.5
[M+NH4]+ 325.16702 183.9
[M+K]+ 346.09636 165.3
[M+H-H2O]+ 290.13046 156.3
[M+HCOO]- 352.13140 169.5
[M+CH3COO]- 366.14705 172.4
[M+Na-2H]- 328.10787 175.4
[M]+ 307.13265 164.4
[M]- 307.13375 164.4
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.