CID 6451884

42445-78-3

Structural Information

Molecular Formula
C8H14N12
SMILES
C(CNC1=NC(=NC(=N1)N)N)NC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C8H14N12/c9-3-15-4(10)18-7(17-3)13-1-2-14-8-19-5(11)16-6(12)20-8/h1-2H2,(H5,9,10,13,15,17,18)(H5,11,12,14,16,19,20)
InChIKey
GVOXAHOKHXNNBX-UHFFFAOYSA-N
Compound name
2-N-[2-[(4,6-diamino-1,3,5-triazin-2-yl)amino]ethyl]-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

826
Patents

278.14642 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.153696 161.0
[M+Na]+ 301.135638 169.7
[M-H]- 277.139144 160.8
[M+NH4]+ 296.180243 167.1
[M+K]+ 317.109578 164.1
[M+H-H2O]+ 261.143680 150.2
[M+HCOO]- 323.144621 183.2
[M+CH3COO]- 337.160271 169.8
[M+Na-2H]- 299.121086 170.0
[M]+ 278.14587142 155.5
[M]- 278.14696858 155.5
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