CID 205972

Delfaprazine

Structural Information

Molecular Formula

C₁₈H₂₂N₂

SMILES

CC1=CC(=C(C=C1)CC2=CC=CC=C2)N3CCNCC3

InChI

InChI=1S/C18H22N2/c1-15-7-8-17(14-16-5-3-2-4-6-16)18(13-15)20-11-9-19-10-12-20/h2-8,13,19H,9-12,14H2,1H3

InChIKey

YCNCHNSGPIXBFZ-UHFFFAOYSA-N

Compound name

1-(2-benzyl-5-methylphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 281
Patents: 266.17828 Da
Monoisotopic Mass: 3.7
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]+	267.185556	165.4
[M+Na]+	289.167498	170.0
[M-H]-	265.171004	169.8
[M+NH4]+	284.212103	177.8
[M+K]+	305.141438	163.5
[M+H-H2O]+	249.175540	155.1
[M+HCOO]-	311.176481	181.2
[M+CH3COO]-	325.192131	174.7
[M+Na-2H]-	287.152946	168.9
[M]+	266.17773142	158.7
[M]-	266.17882858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe