CID 84023942

1-(piperidin-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
C1CNCCC1N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H13N3O2/c13-8-3-6-12(9(14)11-8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,13,14)
InChIKey
UTGRWCCEJROVAT-UHFFFAOYSA-N
Compound name
1-piperidin-4-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.10077 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 142.8
[M+Na]+ 218.089988 150.0
[M-H]- 194.093494 142.4
[M+NH4]+ 213.134593 156.4
[M+K]+ 234.063928 145.3
[M+H-H2O]+ 178.098030 134.2
[M+HCOO]- 240.098971 158.2
[M+CH3COO]- 254.114621 176.2
[M+Na-2H]- 216.075436 147.9
[M]+ 195.10022142 135.8
[M]- 195.10131858 135.8
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