CID 387540

Nsc681450

Structural Information

Molecular Formula
C16H19FN2O3
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=C(C(=O)NC4=O)F
InChI
InChI=1S/C16H19FN2O3/c17-12-7-19(15(22)18-14(12)21)8-13(20)16-4-9-1-10(5-16)3-11(2-9)6-16/h7,9-11H,1-6,8H2,(H,18,21,22)
InChIKey
UMCZCTVLNYHIEM-UHFFFAOYSA-N
Compound name
1-[2-(1-adamantyl)-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13797 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14525 168.7
[M+Na]+ 329.12719 172.9
[M-H]- 305.13069 162.3
[M+NH4]+ 324.17179 187.1
[M+K]+ 345.10113 168.0
[M+H-H2O]+ 289.13523 158.9
[M+HCOO]- 351.13617 171.0
[M+CH3COO]- 365.15182 175.3
[M+Na-2H]- 327.11264 176.7
[M]+ 306.13742 168.1
[M]- 306.13852 168.1
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.