CID 9570316

16018-49-8

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]+ 242.14003 155.6
[M+Na]+ 264.12197 168.1
[M+NH4]+ 259.16657 163.0
[M+K]+ 280.09591 161.4
[M-H]- 240.12547 160.7
[M+Na-2H]- 262.10742 164.9
[M]+ 241.13220 158.6
[M]- 241.13330 158.6
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.