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-H]- 193.09556 141.3
[M+NH4]+ 212.13666 153.8
[M+K]+ 233.06600 143.5
[M+H-H2O]+ 177.10010 129.4
[M+HCOO]- 239.10104 166.6
[M+CH3COO]- 253.11669 201.2
[M+Na-2H]- 215.07751 144.8
[M]+ 194.10229 131.6
[M]- 194.10339 131.6
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