CID 58270796

1205637-77-9

Structural Information

Molecular Formula

C₁₄H₁₇N₃

SMILES

C1CNCCC1N2C=C(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C14H17N3/c1-2-4-12(5-3-1)14-10-17(11-16-14)13-6-8-15-9-7-13/h1-5,10-11,13,15H,6-9H2

InChIKey

RGAFXEOPVNUDMQ-UHFFFAOYSA-N

Compound name

4-(4-phenylimidazol-1-yl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 227.14224 Da
Monoisotopic Mass: 1.7
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]+	228.14952	152.6
[M+Na]+	250.13146	157.9
[M-H]-	226.13496	156.1
[M+NH4]+	245.17606	166.8
[M+K]+	266.10540	152.7
[M+H-H2O]+	210.13950	142.3
[M+HCOO]-	272.14044	169.3
[M+CH3COO]-	286.15609	162.8
[M+Na-2H]-	248.11691	156.0
[M]+	227.14169	145.6
[M]-	227.14279	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe