CID 3021561

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

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

24
Patents

226.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.117886 150.0
[M+Na]+ 249.099828 158.8
[M-H]- 225.103334 155.1
[M+NH4]+ 244.144433 168.3
[M+K]+ 265.073768 154.7
[M+H-H2O]+ 209.107870 141.4
[M+HCOO]- 271.108811 171.2
[M+CH3COO]- 285.124461 162.7
[M+Na-2H]- 247.085276 155.8
[M]+ 226.11006142 150.4
[M]- 226.11115858 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe