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

0
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 164.0
[M+Na]+ 298.08300 172.7
[M-H]- 274.08650 169.3
[M+NH4]+ 293.12760 178.2
[M+K]+ 314.05694 167.1
[M+H-H2O]+ 258.09104 155.0
[M+HCOO]- 320.09198 184.6
[M+CH3COO]- 334.10763 207.0
[M+Na-2H]- 296.06845 169.4
[M]+ 275.09323 164.4
[M]- 275.09433 164.4
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