CID 122596230

Schembl18121943

Structural Information

Molecular Formula
C14H19N3O3
SMILES
CC1=C(C(=O)N(C1O)C2=NC=NC(=C2)C(C)(C)C)OC
InChI
InChI=1S/C14H19N3O3/c1-8-11(20-5)13(19)17(12(8)18)10-6-9(14(2,3)4)15-7-16-10/h6-7,12,18H,1-5H3
InChIKey
XXWLNHJUAVLDLM-UHFFFAOYSA-N
Compound name
1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

277.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14992 165.6
[M+Na]+ 300.13186 177.4
[M+NH4]+ 295.17646 170.8
[M+K]+ 316.10580 175.2
[M-H]- 276.13536 165.5
[M+Na-2H]- 298.11731 169.8
[M]+ 277.14209 167.1
[M]- 277.14319 167.1
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