CID 5275884

2-amino-6-[1-(2,6-difluorophenyl)ethyl]-3-methyl-pyrimidin-4-one

Structural Information

Molecular Formula
C13H13F2N3O
SMILES
CC(C1=CC(=O)N(C(=N1)N)C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C13H13F2N3O/c1-7(12-8(14)4-3-5-9(12)15)10-6-11(19)18(2)13(16)17-10/h3-7H,1-2H3,(H2,16,17)
InChIKey
GTJLEVUTYHZPSA-UHFFFAOYSA-N
Compound name
2-amino-6-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.10266 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10994 158.1
[M+Na]+ 288.09188 169.1
[M-H]- 264.09538 160.3
[M+NH4]+ 283.13648 172.2
[M+K]+ 304.06582 164.0
[M+H-H2O]+ 248.09992 147.8
[M+HCOO]- 310.10086 177.7
[M+CH3COO]- 324.11651 202.1
[M+Na-2H]- 286.07733 160.0
[M]+ 265.10211 156.1
[M]- 265.10321 156.1
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.