CID 162605

50729-75-4

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

143
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 191.1
[M+Na]+ 382.26897 200.7
[M+NH4]+ 377.31357 194.9
[M+K]+ 398.24291 195.7
[M-H]- 358.27247 192.1
[M+Na-2H]- 380.25442 195.1
[M]+ 359.27920 192.3
[M]- 359.28030 192.3
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