CID 52757

2-(1h-imidazol-1-yl)-1-(1-naphthalenyl)ethanone monohydrochloride

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)CN3C=CN=C3
InChI
InChI=1S/C15H12N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h1-9,11H,10H2
InChIKey
OQYTVTMYRAGJMK-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-naphthalen-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

236.09496 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 151.8
[M+Na]+ 259.08418 161.2
[M-H]- 235.08768 157.2
[M+NH4]+ 254.12878 169.3
[M+K]+ 275.05812 156.3
[M+H-H2O]+ 219.09222 143.0
[M+HCOO]- 281.09316 174.6
[M+CH3COO]- 295.10881 164.7
[M+Na-2H]- 257.06963 158.6
[M]+ 236.09441 153.6
[M]- 236.09551 153.6
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