CID 6438258

Brn 0835945

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H24N2O4/c1-18-7-9-19(10-8-18)16(20)6-5-13-11-14(21-2)17(23-4)15(12-13)22-3/h5-6,11-12H,7-10H2,1-4H3/b6-5+
InChIKey
AIQRBHXRSUJZNW-AATRIKPKSA-N
Compound name
(E)-1-(4-methylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 177.2
[M+Na]+ 343.16282 188.6
[M+NH4]+ 338.20742 182.5
[M+K]+ 359.13676 182.8
[M-H]- 319.16632 178.4
[M+Na-2H]- 341.14827 181.2
[M]+ 320.17305 178.8
[M]- 320.17415 178.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.