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 176.6
[M+Na]+ 343.16282 182.6
[M-H]- 319.16632 180.0
[M+NH4]+ 338.20742 188.3
[M+K]+ 359.13676 180.0
[M+H-H2O]+ 303.17086 167.2
[M+HCOO]- 365.17180 193.1
[M+CH3COO]- 379.18745 208.3
[M+Na-2H]- 341.14827 176.3
[M]+ 320.17305 178.6
[M]- 320.17415 178.6
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.