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

4
Patents

266.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.112806 159.7
[M+Na]+ 289.094748 169.4
[M-H]- 265.098254 165.3
[M+NH4]+ 284.139353 176.2
[M+K]+ 305.068688 165.0
[M+H-H2O]+ 249.102790 150.8
[M+HCOO]- 311.103731 182.3
[M+CH3COO]- 325.119381 172.3
[M+Na-2H]- 287.080196 165.3
[M]+ 266.10498142 163.7
[M]- 266.10607858 163.7
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