CID 135524737

4(3h)-pyrimidinone, 2-[(4-methylphenyl)amino]-6-[(2,6-difluorophenyl)methyl]-5-methyl-

Structural Information

Molecular Formula
C19H17F2N3O
SMILES
CC1=CC=C(C=C1)NC2=NC(=C(C(=O)N2)C)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C19H17F2N3O/c1-11-6-8-13(9-7-11)22-19-23-17(12(2)18(25)24-19)10-14-15(20)4-3-5-16(14)21/h3-9H,10H2,1-2H3,(H2,22,23,24,25)
InChIKey
JQFPQQBIGTXGPL-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(4-methylanilino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.13397 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14125 181.0
[M+Na]+ 364.12319 191.3
[M-H]- 340.12669 185.1
[M+NH4]+ 359.16779 191.1
[M+K]+ 380.09713 183.1
[M+H-H2O]+ 324.13123 168.8
[M+HCOO]- 386.13217 199.8
[M+CH3COO]- 400.14782 190.9
[M+Na-2H]- 362.10864 183.1
[M]+ 341.13342 178.6
[M]- 341.13452 178.6
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

No patent data available for this compound.