CID 199579

Brn 0894932

Structural Information

Molecular Formula
C14H20N8
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N
InChI
InChI=1S/C14H20N8/c1-3-22(4-2)10-7-5-9(6-8-10)20-21-11-12(15)18-14(17)19-13(11)16/h5-8H,3-4H2,1-2H3,(H6,15,16,17,18,19)
InChIKey
OCSWUURZJAUGBX-UHFFFAOYSA-N
Compound name
5-[[4-(diethylamino)phenyl]diazenyl]pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1811 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.18838 171.1
[M+Na]+ 323.17032 177.9
[M-H]- 299.17382 178.7
[M+NH4]+ 318.21492 183.4
[M+K]+ 339.14426 175.3
[M+H-H2O]+ 283.17836 160.0
[M+HCOO]- 345.17930 200.6
[M+CH3COO]- 359.19495 227.9
[M+Na-2H]- 321.15577 176.4
[M]+ 300.18055 169.9
[M]- 300.18165 169.9
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.