CID 11233070

Chembl176139

Structural Information

Molecular Formula
C19H18FN3O2
SMILES
CC1=CC(=C(C=C1)OC2=CN(C(=O)C(=N2)NC3=CC=C(C=C3)F)C)C
InChI
InChI=1S/C19H18FN3O2/c1-12-4-9-16(13(2)10-12)25-17-11-23(3)19(24)18(22-17)21-15-7-5-14(20)6-8-15/h4-11H,1-3H3,(H,21,22)
InChIKey
UMWJSCQCQVGSKB-UHFFFAOYSA-N
Compound name
5-(2,4-dimethylphenoxy)-3-(4-fluoroanilino)-1-methylpyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1383 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14558 180.9
[M+Na]+ 362.12752 191.4
[M-H]- 338.13102 187.8
[M+NH4]+ 357.17212 191.8
[M+K]+ 378.10146 185.2
[M+H-H2O]+ 322.13556 169.1
[M+HCOO]- 384.13650 202.5
[M+CH3COO]- 398.15215 216.4
[M+Na-2H]- 360.11297 184.1
[M]+ 339.13775 182.7
[M]- 339.13885 182.7
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.