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 155.9
[M+Na]+ 264.12197 163.0
[M-H]- 240.12547 161.2
[M+NH4]+ 259.16657 170.3
[M+K]+ 280.09591 159.1
[M+H-H2O]+ 224.13001 146.2
[M+HCOO]- 286.13095 181.2
[M+CH3COO]- 300.14660 202.2
[M+Na-2H]- 262.10742 162.9
[M]+ 241.13220 153.8
[M]- 241.13330 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.