CID 199949

1,3,5-triazin-2-amine, 4-ethoxy-6-(2-(4-phenyl-1-piperazinyl)ethyl)-

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

1
Patents

328.20117 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.208446 182.8
[M+Na]+ 351.190388 188.2
[M-H]- 327.193894 184.3
[M+NH4]+ 346.234993 188.6
[M+K]+ 367.164328 181.9
[M+H-H2O]+ 311.198430 169.5
[M+HCOO]- 373.199371 196.7
[M+CH3COO]- 387.215021 190.0
[M+Na-2H]- 349.175836 186.1
[M]+ 328.20062142 179.2
[M]- 328.20171858 179.2
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