CID 135524732

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

Structural Information

Molecular Formula
C18H15F2N3O
SMILES
CC1=C(N=C(NC1=O)NC2=CC=CC=C2)CC3=C(C=CC=C3F)F
InChI
InChI=1S/C18H15F2N3O/c1-11-16(10-13-14(19)8-5-9-15(13)20)22-18(23-17(11)24)21-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H2,21,22,23,24)
InChIKey
IASZKUUYILYGRA-UHFFFAOYSA-N
Compound name
2-anilino-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

327.11832 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12560 175.8
[M+Na]+ 350.10754 185.7
[M-H]- 326.11104 179.7
[M+NH4]+ 345.15214 186.2
[M+K]+ 366.08148 177.6
[M+H-H2O]+ 310.11558 163.7
[M+HCOO]- 372.11652 195.0
[M+CH3COO]- 386.13217 185.8
[M+Na-2H]- 348.09299 179.3
[M]+ 327.11777 172.7
[M]- 327.11887 172.7
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.