CID 10221912

5-(2,4-dimethylphenoxy)-1-methyl-3-[4-(trifluoromethyl)anilino]pyrazin-2-one

Structural Information

Molecular Formula
C20H18F3N3O2
SMILES
CC1=CC(=C(C=C1)OC2=CN(C(=O)C(=N2)NC3=CC=C(C=C3)C(F)(F)F)C)C
InChI
InChI=1S/C20H18F3N3O2/c1-12-4-9-16(13(2)10-12)28-17-11-26(3)19(27)18(25-17)24-15-7-5-14(6-8-15)20(21,22)23/h4-11H,1-3H3,(H,24,25)
InChIKey
FCQYCQUVMGAAHQ-UHFFFAOYSA-N
Compound name
5-(2,4-dimethylphenoxy)-1-methyl-3-[4-(trifluoromethyl)anilino]pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

389.1351 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14238 192.9
[M+Na]+ 412.12432 203.5
[M-H]- 388.12782 197.2
[M+NH4]+ 407.16892 201.7
[M+K]+ 428.09826 196.7
[M+H-H2O]+ 372.13236 179.5
[M+HCOO]- 434.13330 210.3
[M+CH3COO]- 448.14895 224.5
[M+Na-2H]- 410.10977 195.1
[M]+ 389.13455 192.3
[M]- 389.13565 192.3
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.