CID 6447699

Bucinnazine, 2-methyl

Structural Information

Molecular Formula

C₁₈H₂₆N₂O

SMILES

CCCC(=O)N1CCN(CC1C)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O/c1-3-8-18(21)20-14-13-19(15-16(20)2)12-7-11-17-9-5-4-6-10-17/h4-7,9-11,16H,3,8,12-15H2,1-2H3/b11-7+

InChIKey

CRSFXYZFNAFVFC-YRNVUSSQSA-N

Compound name

1-[2-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 286.2045 Da
Monoisotopic Mass: 2.9
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]+	287.211776	172.8
[M+Na]+	309.193718	176.9
[M-H]-	285.197224	175.2
[M+NH4]+	304.238323	185.6
[M+K]+	325.167658	172.1
[M+H-H2O]+	269.201760	163.2
[M+HCOO]-	331.202701	188.4
[M+CH3COO]-	345.218351	202.5
[M+Na-2H]-	307.179166	173.1
[M]+	286.20395142	170.0
[M]-	286.20504858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe