CID 162605

6-(2-(2-undecyl-1h-imidazol-1-yl)ethyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C19H33N7
SMILES
CCCCCCCCCCCC1=NC=CN1CCC2=NC(=NC(=N2)N)N
InChI
InChI=1S/C19H33N7/c1-2-3-4-5-6-7-8-9-10-11-17-22-13-15-26(17)14-12-16-23-18(20)25-19(21)24-16/h13,15H,2-12,14H2,1H3,(H4,20,21,23,24,25)
InChIKey
QZDGTFKTHGKXEP-UHFFFAOYSA-N
Compound name
6-[2-(2-undecylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

196
Patents

359.27975 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.28703 191.2
[M+Na]+ 382.26897 196.7
[M-H]- 358.27247 190.0
[M+NH4]+ 377.31357 198.3
[M+K]+ 398.24291 190.0
[M+H-H2O]+ 342.27701 179.0
[M+HCOO]- 404.27795 208.9
[M+CH3COO]- 418.29360 222.6
[M+Na-2H]- 380.25442 191.3
[M]+ 359.27920 193.2
[M]- 359.28030 193.2
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