CID 11694762

5-dodecynyl-uracil

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCCCCCCCCC#CC1=CNC(=O)NC1=O
InChI
InChI=1S/C16H24N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-17-16(20)18-15(14)19/h13H,2-10H2,1H3,(H2,17,18,19,20)
InChIKey
MJYNXNVRGQRYRS-UHFFFAOYSA-N
Compound name
5-dodec-1-ynyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.18378 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 164.0
[M+Na]+ 299.17300 172.1
[M-H]- 275.17650 160.0
[M+NH4]+ 294.21760 174.8
[M+K]+ 315.14694 165.5
[M+H-H2O]+ 259.18104 149.9
[M+HCOO]- 321.18198 176.0
[M+CH3COO]- 335.19763 201.2
[M+Na-2H]- 297.15845 165.3
[M]+ 276.18323 159.3
[M]- 276.18433 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.