CID 135480616

2-amino-6-ethyl-5-iodo-4(3h)-pyrimidinone

Structural Information

Molecular Formula
C6H8IN3O
SMILES
CCC1=C(C(=O)NC(=N1)N)I
InChI
InChI=1S/C6H8IN3O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H3,8,9,10,11)
InChIKey
PUVADDRIJJCWQC-UHFFFAOYSA-N
Compound name
2-amino-4-ethyl-5-iodo-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

264.97122 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.97850 141.0
[M+Na]+ 287.96044 144.0
[M-H]- 263.96394 134.3
[M+NH4]+ 283.00504 153.9
[M+K]+ 303.93438 146.7
[M+H-H2O]+ 247.96848 130.9
[M+HCOO]- 309.96942 157.9
[M+CH3COO]- 323.98507 185.6
[M+Na-2H]- 285.94589 134.7
[M]+ 264.97067 136.7
[M]- 264.97177 136.7
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

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