CID 116086

63981-32-8

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCCN1C(=CC(=O)N(C1=O)CC)N
InChI
InChI=1S/C9H15N3O2/c1-3-5-12-7(10)6-8(13)11(4-2)9(12)14/h6H,3-5,10H2,1-2H3
InChIKey
NUEJYQRPPDNSDM-UHFFFAOYSA-N
Compound name
6-amino-3-ethyl-1-propylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.11642 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 141.7
[M+Na]+ 220.105638 152.6
[M-H]- 196.109144 143.3
[M+NH4]+ 215.150243 158.9
[M+K]+ 236.079578 149.7
[M+H-H2O]+ 180.113680 134.7
[M+HCOO]- 242.114621 164.8
[M+CH3COO]- 256.130271 188.2
[M+Na-2H]- 218.091086 146.3
[M]+ 197.11587142 144.0
[M]- 197.11696858 144.0
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