CID 78042

1,3,5-triazine-2,4-diamine, 6,6'-(1,4-butanediyl)bis-

Structural Information

Molecular Formula
C10H16N10
SMILES
C(CCC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C10H16N10/c11-7-15-5(16-8(12)19-7)3-1-2-4-6-17-9(13)20-10(14)18-6/h1-4H2,(H4,11,12,15,16,19)(H4,13,14,17,18,20)
InChIKey
VVYBFJSLGGZKFD-UHFFFAOYSA-N
Compound name
6-[4-(4,6-diamino-1,3,5-triazin-2-yl)butyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
Patents

276.15594 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16322 167.0
[M+Na]+ 299.14516 176.4
[M-H]- 275.14866 165.8
[M+NH4]+ 294.18976 173.6
[M+K]+ 315.11910 169.9
[M+H-H2O]+ 259.15320 156.1
[M+HCOO]- 321.15414 186.3
[M+CH3COO]- 335.16979 210.5
[M+Na-2H]- 297.13061 173.1
[M]+ 276.15539 163.1
[M]- 276.15649 163.1
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