CID 16072080

Chembl242069

Structural Information

Molecular Formula
C20H32N2O5
SMILES
CCCCCCCCCCC#CC1=CN(C(=O)NC1=O)COC(CO)CO
InChI
InChI=1S/C20H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-22(20(26)21-19(17)25)16-27-18(14-23)15-24/h13,18,23-24H,2-10,14-16H2,1H3,(H,21,25,26)
InChIKey
NNJCYNKNYVGZPM-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-dodec-1-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.2311 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.23838 186.7
[M+Na]+ 403.22032 192.6
[M-H]- 379.22382 181.2
[M+NH4]+ 398.26492 192.9
[M+K]+ 419.19426 187.3
[M+H-H2O]+ 363.22836 172.0
[M+HCOO]- 425.22930 195.8
[M+CH3COO]- 439.24495 217.2
[M+Na-2H]- 401.20577 184.3
[M]+ 380.23055 185.2
[M]- 380.23165 185.2
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.