CID 792457

53960-20-6

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₃

SMILES

CN1CCN(CC1)CC2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C15H24N2O3/c1-16-7-9-17(10-8-16)11-12-5-6-13(18-2)15(20-4)14(12)19-3/h5-6H,7-11H2,1-4H3

InChIKey

SQQDLCAQLUXIPC-UHFFFAOYSA-N

Compound name

1-methyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 280.17868 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	281.18596	167.4
[M+Na]+	303.16790	173.9
[M-H]-	279.17140	170.9
[M+NH4]+	298.21250	180.9
[M+K]+	319.14184	171.8
[M+H-H2O]+	263.17594	158.1
[M+HCOO]-	325.17688	185.0
[M+CH3COO]-	339.19253	202.2
[M+Na-2H]-	301.15335	169.0
[M]+	280.17813	169.4
[M]-	280.17923	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe