CID 9570316

Guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenyl-

Structural Information

Molecular Formula
C13H15N5
SMILES
CC1=CC(=NC(=N1)/N=C(\N)/NC2=CC=CC=C2)C
InChI
InChI=1S/C13H15N5/c1-9-8-10(2)16-13(15-9)18-12(14)17-11-6-4-3-5-7-11/h3-8H,1-2H3,(H3,14,15,16,17,18)
InChIKey
VPUNGERWGVXPEK-UHFFFAOYSA-N
Compound name
2-(4,6-dimethylpyrimidin-2-yl)-1-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.140026 155.9
[M+Na]+ 264.121968 163.0
[M-H]- 240.125474 161.2
[M+NH4]+ 259.166573 170.3
[M+K]+ 280.095908 159.1
[M+H-H2O]+ 224.130010 146.2
[M+HCOO]- 286.130951 181.2
[M+CH3COO]- 300.146601 202.2
[M+Na-2H]- 262.107416 162.9
[M]+ 241.13220142 153.8
[M]- 241.13329858 153.8
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.