CID 35796

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

Structural Information

Molecular Formula
C6H12N10
SMILES
C1=CN=C(N=C1NN=C(N)N)NN=C(N)N
InChI
InChI=1S/C6H12N10/c7-4(8)14-13-3-1-2-11-6(12-3)16-15-5(9)10/h1-2H,(H4,7,8,14)(H4,9,10,15)(H2,11,12,13,16)
InChIKey
FEYFXAIAGRXAAN-UHFFFAOYSA-N
Compound name
2-[[2-[2-(diaminomethylidene)hydrazinyl]pyrimidin-4-yl]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12463 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13191 140.9
[M+Na]+ 247.11385 145.2
[M-H]- 223.11735 143.8
[M+NH4]+ 242.15845 154.0
[M+K]+ 263.08779 144.8
[M+H-H2O]+ 207.12189 130.8
[M+HCOO]- 269.12283 170.7
[M+CH3COO]- 283.13848 212.6
[M+Na-2H]- 245.09930 148.3
[M]+ 224.12408 132.7
[M]- 224.12518 132.7
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.