CID 5726586

16018-51-2

Structural Information

Molecular Formula
C13H14ClN5
SMILES
CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C13H14ClN5/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
ANHAWMLUXSUVCU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

275.09378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10106 162.3
[M+Na]+ 298.08300 176.1
[M+NH4]+ 293.12760 169.9
[M+K]+ 314.05694 168.5
[M-H]- 274.08650 167.5
[M+Na-2H]- 296.06845 171.3
[M]+ 275.09323 165.9
[M]- 275.09433 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe