CID 163309

Tefazoline

Structural Information

Molecular Formula

C₁₄H₁₈N₂

SMILES

C1CCC2=C(C1)C=CC=C2CC3=NCCN3

InChI

InChI=1S/C14H18N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h3,5-6H,1-2,4,7-10H2,(H,15,16)

InChIKey

RSTAWBICYZRXME-UHFFFAOYSA-N

Compound name

2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 111
Patents: 214.147 Da
Monoisotopic Mass: 2.2
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]+	215.154276	149.8
[M+Na]+	237.136218	155.2
[M-H]-	213.139724	152.2
[M+NH4]+	232.180823	167.3
[M+K]+	253.110158	150.1
[M+H-H2O]+	197.144260	141.2
[M+HCOO]-	259.145201	166.3
[M+CH3COO]-	273.160851	160.4
[M+Na-2H]-	235.121666	153.8
[M]+	214.14645142	143.6
[M]-	214.14754858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe