CID 2796959

Maybridge2_000265

Structural Information

Molecular Formula

C₂₂H₂₆N₂O

SMILES

CC=C(C)C(=O)NC1=CC=CC=C1CC2C3=CC=CC=C3CCN2C

InChI

InChI=1S/C22H26N2O/c1-4-16(2)22(25)23-20-12-8-6-10-18(20)15-21-19-11-7-5-9-17(19)13-14-24(21)3/h4-12,21H,13-15H2,1-3H3,(H,23,25)

InChIKey

MFIHINBTMKETRH-UHFFFAOYSA-N

Compound name

2-methyl-N-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]but-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 334.2045 Da
Monoisotopic Mass: 4.2
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]+	335.211776	183.7
[M+Na]+	357.193718	188.0
[M-H]-	333.197224	188.7
[M+NH4]+	352.238323	196.5
[M+K]+	373.167658	182.2
[M+H-H2O]+	317.201760	174.1
[M+HCOO]-	379.202701	200.4
[M+CH3COO]-	393.218351	216.2
[M+Na-2H]-	355.179166	184.5
[M]+	334.20395142	180.9
[M]-	334.20504858	180.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.