CID 135524743

2-anilino-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C19H17F2N3O
SMILES
CC1=C(N=C(NC1=O)NC2=CC=CC=C2)C(C)C3=C(C=CC=C3F)F
InChI
InChI=1S/C19H17F2N3O/c1-11(16-14(20)9-6-10-15(16)21)17-12(2)18(25)24-19(23-17)22-13-7-4-3-5-8-13/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKey
VHZNFCANHMTSAT-UHFFFAOYSA-N
Compound name
2-anilino-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-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 180.1
[M+Na]+ 364.12319 189.2
[M-H]- 340.12669 184.0
[M+NH4]+ 359.16779 189.9
[M+K]+ 380.09713 181.5
[M+H-H2O]+ 324.13123 168.0
[M+HCOO]- 386.13217 198.0
[M+CH3COO]- 400.14782 189.6
[M+Na-2H]- 362.10864 182.0
[M]+ 341.13342 176.8
[M]- 341.13452 176.8
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.