CID 3021561

Brn 4748478

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

COC1=CC2=C(C=C1)C=C(CC2)N3C=CN=C3

InChI

InChI=1S/C14H14N2O/c1-17-14-5-3-11-8-13(4-2-12(11)9-14)16-7-6-15-10-16/h3,5-10H,2,4H2,1H3

InChIKey

MQEMKMXSOMLZBI-UHFFFAOYSA-N

Compound name

1-(6-methoxy-3,4-dihydronaphthalen-2-yl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 226.11061 Da
Monoisotopic Mass: 2.4
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]+	227.11789	150.0
[M+Na]+	249.09983	158.8
[M-H]-	225.10333	155.1
[M+NH4]+	244.14443	168.3
[M+K]+	265.07377	154.7
[M+H-H2O]+	209.10787	141.4
[M+HCOO]-	271.10881	171.2
[M+CH3COO]-	285.12446	162.7
[M+Na-2H]-	247.08528	155.8
[M]+	226.11006	150.4
[M]-	226.11116	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe