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

1
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

patents stripe