CID 3058922

Ethanone, 2-(1h-imidazol-1-yl)-1-(6-methoxy-2-naphthalenyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C16H14N2O2/c1-20-15-5-4-12-8-14(3-2-13(12)9-15)16(19)10-18-7-6-17-11-18/h2-9,11H,10H2,1H3
InChIKey
QWXCKASENSPRLZ-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

266.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.7
[M+Na]+ 289.09475 175.2
[M+NH4]+ 284.13935 167.9
[M+K]+ 305.06869 169.2
[M-H]- 265.09825 163.2
[M+Na-2H]- 287.08020 168.6
[M]+ 266.10498 162.9
[M]- 266.10608 162.9
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