CID 100806

Mpmap

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

CN1CCN(CC1)CC(=C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H20N2O/c1-13(12-17-10-8-16(2)9-11-17)15(18)14-6-4-3-5-7-14/h3-7H,1,8-12H2,2H3

InChIKey

UTSBHQHXGFVJMV-UHFFFAOYSA-N

Compound name

2-[(4-methylpiperazin-1-yl)methyl]-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 17
Patents: 244.15756 Da
Monoisotopic Mass: 1.9
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]+	245.16484	158.8
[M+Na]+	267.14678	162.8
[M-H]-	243.15028	161.3
[M+NH4]+	262.19138	172.7
[M+K]+	283.12072	159.2
[M+H-H2O]+	227.15482	149.6
[M+HCOO]-	289.15576	174.4
[M+CH3COO]-	303.17141	194.6
[M+Na-2H]-	265.13223	160.3
[M]+	244.15701	154.0
[M]-	244.15811	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe