CID 77779

4128-94-3

Structural Information

Molecular Formula
C8H12N10
SMILES
C(CC1=NC(=NC(=N1)N)N)C2=NC(=NC(=N2)N)N
InChI
InChI=1S/C8H12N10/c9-5-13-3(14-6(10)17-5)1-2-4-15-7(11)18-8(12)16-4/h1-2H2,(H4,9,10,13,14,17)(H4,11,12,15,16,18)
InChIKey
ZUHMEUFBTDOKPX-UHFFFAOYSA-N
Compound name
6-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

861
Patents

248.12463 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.131906 159.2
[M+Na]+ 271.113848 169.5
[M-H]- 247.117354 158.4
[M+NH4]+ 266.158453 166.9
[M+K]+ 287.087788 163.4
[M+H-H2O]+ 231.121890 148.7
[M+HCOO]- 293.122831 179.2
[M+CH3COO]- 307.138481 168.7
[M+Na-2H]- 269.099296 166.2
[M]+ 248.12408142 154.6
[M]- 248.12517858 154.6
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