CID 88887

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

Structural Information

Molecular Formula
C10H16N10
SMILES
CC(CC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C10H16N10/c1-4(2-5-15-7(11)19-8(12)16-5)3-6-17-9(13)20-10(14)18-6/h4H,2-3H2,1H3,(H4,11,12,15,16,19)(H4,13,14,17,18,20)
InChIKey
BZCCQQSAVSKZCV-UHFFFAOYSA-N
Compound name
6-[3-(4,6-diamino-1,3,5-triazin-2-yl)-2-methylpropyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

276.15594 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16322 167.9
[M+Na]+ 299.14516 177.0
[M-H]- 275.14866 166.9
[M+NH4]+ 294.18976 174.4
[M+K]+ 315.11910 171.1
[M+H-H2O]+ 259.15320 157.2
[M+HCOO]- 321.15414 186.3
[M+CH3COO]- 335.16979 211.4
[M+Na-2H]- 297.13061 172.8
[M]+ 276.15539 163.4
[M]- 276.15649 163.4
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