CID 11772009

Chembl177583

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC1=CC=C(C=C1)NC2=NC(=CN(C2=O)C)OC3=C(C=C(C=C3)C)C
InChI
InChI=1S/C20H21N3O2/c1-13-5-8-16(9-6-13)21-19-20(24)23(4)12-18(22-19)25-17-10-7-14(2)11-15(17)3/h5-12H,1-4H3,(H,21,22)
InChIKey
BQZQYHBGXNHMGU-UHFFFAOYSA-N
Compound name
5-(2,4-dimethylphenoxy)-1-methyl-3-(4-methylanilino)pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.2
[M+Na]+ 358.15262 192.1
[M-H]- 334.15612 190.3
[M+NH4]+ 353.19722 193.2
[M+K]+ 374.12656 186.3
[M+H-H2O]+ 318.16066 171.2
[M+HCOO]- 380.16160 204.4
[M+CH3COO]- 394.17725 216.7
[M+Na-2H]- 356.13807 185.4
[M]+ 335.16285 185.3
[M]- 335.16395 185.3
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.