CID 4995094

34654-80-3

Structural Information

Molecular Formula
C9H15N3O3
SMILES
CN1C(=CC(=O)N(C1=O)C)NCCCO
InChI
InChI=1S/C9H15N3O3/c1-11-7(10-4-3-5-13)6-8(14)12(2)9(11)15/h6,10,13H,3-5H2,1-2H3
InChIKey
PBIJDBVKVFZACL-UHFFFAOYSA-N
Compound name
6-(3-hydroxypropylamino)-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

213.11134 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.11862 144.8
[M+Na]+ 236.10056 155.0
[M-H]- 212.10406 145.4
[M+NH4]+ 231.14516 160.7
[M+K]+ 252.07450 152.2
[M+H-H2O]+ 196.10860 137.6
[M+HCOO]- 258.10954 167.2
[M+CH3COO]- 272.12519 188.5
[M+Na-2H]- 234.08601 149.9
[M]+ 213.11079 147.5
[M]- 213.11189 147.5
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

patents stripe