CID 13589736

2,3-diamino-6-ethylpyrimidin-4(3h)-one

Structural Information

Molecular Formula
C6H10N4O
SMILES
CCC1=CC(=O)N(C(=N1)N)N
InChI
InChI=1S/C6H10N4O/c1-2-4-3-5(11)10(8)6(7)9-4/h3H,2,8H2,1H3,(H2,7,9)
InChIKey
ODCOMWHBXXRGTQ-UHFFFAOYSA-N
Compound name
2,3-diamino-6-ethylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.092736 131.0
[M+Na]+ 177.074678 141.2
[M-H]- 153.078184 132.2
[M+NH4]+ 172.119283 149.1
[M+K]+ 193.048618 138.7
[M+H-H2O]+ 137.082720 124.0
[M+HCOO]- 199.083661 155.2
[M+CH3COO]- 213.099311 180.9
[M+Na-2H]- 175.060126 137.2
[M]+ 154.08491142 129.3
[M]- 154.08600858 129.3
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

No patent data available for this compound.