CID 2735502

321132-21-2

Structural Information

Molecular Formula

C₁₇H₂₀N₂O

SMILES

C1CN(CCN1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O/c1-2-4-15(5-3-1)14-20-17-8-6-16(7-9-17)19-12-10-18-11-13-19/h1-9,18H,10-14H2

InChIKey

BSYHPGDHIZWPSR-UHFFFAOYSA-N

Compound name

1-(4-phenylmethoxyphenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 439
Patents: 268.15756 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]+	269.16484	163.7
[M+Na]+	291.14678	167.6
[M-H]-	267.15028	167.8
[M+NH4]+	286.19138	175.6
[M+K]+	307.12072	162.0
[M+H-H2O]+	251.15482	153.1
[M+HCOO]-	313.15576	180.0
[M+CH3COO]-	327.17141	172.9
[M+Na-2H]-	289.13223	168.5
[M]+	268.15701	157.6
[M]-	268.15811	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe