CID 9966899

Chembl367069

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=CC(=C(C=C1)OC2=CN(C(=O)C(=N2)NC3=CC=CC=C3)C)C
InChI
InChI=1S/C19H19N3O2/c1-13-9-10-16(14(2)11-13)24-17-12-22(3)19(23)18(21-17)20-15-7-5-4-6-8-15/h4-12H,1-3H3,(H,20,21)
InChIKey
NIGMBCDZNCSZRH-UHFFFAOYSA-N
Compound name
3-anilino-5-(2,4-dimethylphenoxy)-1-methylpyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

321.14774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.3
[M+Na]+ 344.13696 186.8
[M-H]- 320.14046 185.2
[M+NH4]+ 339.18156 188.6
[M+K]+ 360.11090 181.1
[M+H-H2O]+ 304.14500 166.3
[M+HCOO]- 366.14594 199.9
[M+CH3COO]- 380.16159 212.5
[M+Na-2H]- 342.12241 181.9
[M]+ 321.14719 179.6
[M]- 321.14829 179.6
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.