CID 56720

2020/12 ciba

Structural Information

Molecular Formula

C₁₅H₁₆N₂O

SMILES

COC1=CC=C(C2=CC=CC=C21)CC3=NCCN3

InChI

InChI=1S/C15H16N2O/c1-18-14-7-6-11(10-15-16-8-9-17-15)12-4-2-3-5-13(12)14/h2-7H,8-10H2,1H3,(H,16,17)

InChIKey

OQOJHMDOWMYMPM-UHFFFAOYSA-N

Compound name

2-[(4-methoxynaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 240.12627 Da
Monoisotopic Mass: 2.0
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]+	241.133546	154.8
[M+Na]+	263.115488	162.7
[M-H]-	239.118994	158.3
[M+NH4]+	258.160093	171.8
[M+K]+	279.089428	157.5
[M+H-H2O]+	223.123530	146.3
[M+HCOO]-	285.124471	174.1
[M+CH3COO]-	299.140121	166.4
[M+Na-2H]-	261.100936	159.7
[M]+	240.12572142	153.7
[M]-	240.12681858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe