CID 135434818

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

Structural Information

Molecular Formula
C13H13F2N3O
SMILES
CC1=C(N=C(NC1=O)NC)CC2=C(C=CC=C2F)F
InChI
InChI=1S/C13H13F2N3O/c1-7-11(17-13(16-2)18-12(7)19)6-8-9(14)4-3-5-10(8)15/h3-5H,6H2,1-2H3,(H2,16,17,18,19)
InChIKey
VVWXTOFZZQYVNC-UHFFFAOYSA-N
Compound name
4-[(2,6-difluorophenyl)methyl]-5-methyl-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 158.0
[M+Na]+ 288.09188 168.9
[M-H]- 264.09538 159.3
[M+NH4]+ 283.13648 171.7
[M+K]+ 304.06582 162.7
[M+H-H2O]+ 248.09992 147.9
[M+HCOO]- 310.10086 177.8
[M+CH3COO]- 324.11651 199.4
[M+Na-2H]- 286.07733 161.7
[M]+ 265.10211 155.8
[M]- 265.10321 155.8
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.