CID 135434821

4(3h)-pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(methylamino)-

Structural Information

Molecular Formula
C13H13F2N3O
SMILES
CC(C1=CC(=O)NC(=N1)NC)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)18-13(16-2)17-10/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKey
XHRJSZZPUUNRQT-UHFFFAOYSA-N
Compound name
4-[1-(2,6-difluorophenyl)ethyl]-2-(methylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.10266 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10994 157.7
[M+Na]+ 288.09188 167.3
[M-H]- 264.09538 158.6
[M+NH4]+ 283.13648 170.9
[M+K]+ 304.06582 161.6
[M+H-H2O]+ 248.09992 147.4
[M+HCOO]- 310.10086 176.4
[M+CH3COO]- 324.11651 199.0
[M+Na-2H]- 286.07733 160.9
[M]+ 265.10211 154.4
[M]- 265.10321 154.4
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.