CID 199949

Brn 0573253

Structural Information

Molecular Formula
C17H24N6O
SMILES
CCOC1=NC(=NC(=N1)N)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C17H24N6O/c1-2-24-17-20-15(19-16(18)21-17)8-9-22-10-12-23(13-11-22)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H2,18,19,20,21)
InChIKey
JQARIULSQUHIFS-UHFFFAOYSA-N
Compound name
4-ethoxy-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.20117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20845 181.0
[M+Na]+ 351.19039 194.4
[M+NH4]+ 346.23499 186.6
[M+K]+ 367.16433 187.2
[M-H]- 327.19389 184.7
[M+Na-2H]- 349.17584 189.0
[M]+ 328.20062 183.8
[M]- 328.20172 183.8
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

No patent data available for this compound.