CID 135406941

391681-51-9

Structural Information

Molecular Formula
C15H17F2N3O
SMILES
CC1=C(N=C(NC1=O)N(C)C)C(C)C2=C(C=CC=C2F)F
InChI
InChI=1S/C15H17F2N3O/c1-8(12-10(16)6-5-7-11(12)17)13-9(2)14(21)19-15(18-13)20(3)4/h5-8H,1-4H3,(H,18,19,21)
InChIKey
AUVZNKJXGYXDKP-UHFFFAOYSA-N
Compound name
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

293.13397 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14125 166.2
[M+Na]+ 316.12319 176.0
[M-H]- 292.12669 168.7
[M+NH4]+ 311.16779 179.2
[M+K]+ 332.09713 171.3
[M+H-H2O]+ 276.13123 155.6
[M+HCOO]- 338.13217 184.8
[M+CH3COO]- 352.14782 209.6
[M+Na-2H]- 314.10864 166.9
[M]+ 293.13342 165.2
[M]- 293.13452 165.2
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.