CID 3021557

1h-imidazole, 1-(3,4-dihydro-7-methoxy-2-naphthalenyl)-

Structural Information

Molecular Formula
C14H14N2O
SMILES
COC1=CC2=C(CCC(=C2)N3C=CN=C3)C=C1
InChI
InChI=1S/C14H14N2O/c1-17-14-5-3-11-2-4-13(8-12(11)9-14)16-7-6-15-10-16/h3,5-10H,2,4H2,1H3
InChIKey
CRAMMDHXKKDBIB-UHFFFAOYSA-N
Compound name
1-(7-methoxy-3,4-dihydronaphthalen-2-yl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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

No literature data available for this compound.

Patent stripe

patents stripe