CID 5761040

16018-65-8

Structural Information

Molecular Formula
C13H14FN5
SMILES
CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)F)C
InChI
InChI=1S/C13H14FN5/c1-8-7-9(2)17-13(16-8)19-12(15)18-11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H3,15,16,17,18,19)
InChIKey
HXOLTKGSYIFEBZ-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.12332 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13060 157.4
[M+Na]+ 282.11254 169.2
[M+NH4]+ 277.15714 163.9
[M+K]+ 298.08648 162.8
[M-H]- 258.11604 160.9
[M+Na-2H]- 280.09799 165.6
[M]+ 259.12277 159.7
[M]- 259.12387 159.7
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.