CID 135465384

Chembl80283

Structural Information

Molecular Formula
C13H13N3O
SMILES
C=CCC1=C(N=C(NC1=O)N)C2=CC=CC=C2
InChI
InChI=1S/C13H13N3O/c1-2-6-10-11(9-7-4-3-5-8-9)15-13(14)16-12(10)17/h2-5,7-8H,1,6H2,(H3,14,15,16,17)
InChIKey
UGAOOSHDWLHJGJ-UHFFFAOYSA-N
Compound name
2-amino-4-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11315 151.4
[M+Na]+ 250.09509 160.6
[M-H]- 226.09859 154.2
[M+NH4]+ 245.13969 165.8
[M+K]+ 266.06903 154.4
[M+H-H2O]+ 210.10313 143.0
[M+HCOO]- 272.10407 172.9
[M+CH3COO]- 286.11972 190.1
[M+Na-2H]- 248.08054 156.8
[M]+ 227.10532 148.8
[M]- 227.10642 148.8
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

No patent data available for this compound.