CID 212719

Brn 0534223

Structural Information

Molecular Formula

C₁₆H₁₇N₃

SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=N2)C3=NCCN3

InChI

InChI=1S/C16H17N3/c1-16(15-18-11-12-19-15,13-7-3-2-4-8-13)14-9-5-6-10-17-14/h2-10H,11-12H2,1H3,(H,18,19)

InChIKey

DQBUBUTZHJXBSG-UHFFFAOYSA-N

Compound name

2-[1-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 251.14224 Da
Monoisotopic Mass: 1.8
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]+	252.149516	159.0
[M+Na]+	274.131458	165.0
[M-H]-	250.134964	162.9
[M+NH4]+	269.176063	172.2
[M+K]+	290.105398	159.3
[M+H-H2O]+	234.139500	149.0
[M+HCOO]-	296.140441	176.2
[M+CH3COO]-	310.156091	169.2
[M+Na-2H]-	272.116906	164.9
[M]+	251.14169142	154.6
[M]-	251.14278858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe