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 159.3
[M+Na]+ 282.11254 167.4
[M-H]- 258.11604 163.6
[M+NH4]+ 277.15714 173.3
[M+K]+ 298.08648 163.0
[M+H-H2O]+ 242.12058 148.8
[M+HCOO]- 304.12152 183.5
[M+CH3COO]- 318.13717 206.1
[M+Na-2H]- 280.09799 164.9
[M]+ 259.12277 156.6
[M]- 259.12387 156.6
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.