CID 35691

1,1'-(pyrimidine-2,4-diyl)diguanidine

Structural Information

Molecular Formula
C6H10N8
SMILES
C1=CN=C(N=C1N=C(N)N)N=C(N)N
InChI
InChI=1S/C6H10N8/c7-4(8)12-3-1-2-11-6(13-3)14-5(9)10/h1-2H,(H8,7,8,9,10,11,12,13,14)
InChIKey
YRXONVDHHSMUDU-UHFFFAOYSA-N
Compound name
2-[2-(diaminomethylideneamino)pyrimidin-4-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

194.10284 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11012 138.6
[M+Na]+ 217.09206 144.5
[M+NH4]+ 212.13666 143.6
[M+K]+ 233.06600 142.4
[M-H]- 193.09556 141.1
[M+Na-2H]- 215.07751 143.4
[M]+ 194.10229 139.2
[M]- 194.10339 139.2
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