CID 36147

2,4-diguanidino-6-methylpyrimidine dihydrochloride

Structural Information

Molecular Formula
C7H12N8
SMILES
CC1=CC(=NC(=N1)N=C(N)N)N=C(N)N
InChI
InChI=1S/C7H12N8/c1-3-2-4(13-5(8)9)14-7(12-3)15-6(10)11/h2H,1H3,(H8,8,9,10,11,12,13,14,15)
InChIKey
FUFQLHLJWOXDOO-UHFFFAOYSA-N
Compound name
2-[2-(diaminomethylideneamino)-6-methylpyrimidin-4-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.1185 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12578 143.6
[M+Na]+ 231.10772 149.7
[M+NH4]+ 226.15232 148.5
[M+K]+ 247.08166 147.5
[M-H]- 207.11122 146.2
[M+Na-2H]- 229.09317 147.8
[M]+ 208.11795 144.3
[M]- 208.11905 144.3
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

No patent data available for this compound.