CID 513242

Schembl755973

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CN1CC(=C(C1=O)O)C2=CC(=NC=N2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H15N3O3/c1-19-8-12(15(20)16(19)21)13-7-14(18-10-17-13)22-9-11-5-3-2-4-6-11/h2-7,10,20H,8-9H2,1H3
InChIKey
CUNOJEDDSHOECY-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-3-(6-phenylmethoxypyrimidin-4-yl)-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

297.11133 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.9
[M+Na]+ 320.10055 176.9
[M-H]- 296.10405 173.1
[M+NH4]+ 315.14515 180.0
[M+K]+ 336.07449 172.0
[M+H-H2O]+ 280.10859 157.8
[M+HCOO]- 342.10953 187.5
[M+CH3COO]- 356.12518 178.9
[M+Na-2H]- 318.08600 170.1
[M]+ 297.11078 169.1
[M]- 297.11188 169.1
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