CID 6438258

Piperazine, 1-methyl-4-(3,4,5-trimethoxycinnamoyl)-

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]+ 321.180876 176.6
[M+Na]+ 343.162818 182.6
[M-H]- 319.166324 180.0
[M+NH4]+ 338.207423 188.3
[M+K]+ 359.136758 180.0
[M+H-H2O]+ 303.170860 167.2
[M+HCOO]- 365.171801 193.1
[M+CH3COO]- 379.187451 208.3
[M+Na-2H]- 341.148266 176.3
[M]+ 320.17305142 178.6
[M]- 320.17414858 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.