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

literature stripe

Patent stripe

patents stripe