CID 853472

1-(2-naphthoyl)imidazole

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N3C=CN=C3
InChI
InChI=1S/C14H10N2O/c17-14(16-8-7-15-10-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKey
FEYNPDBWOXBMOB-UHFFFAOYSA-N
Compound name
imidazol-1-yl(naphthalen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

222.07932 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08660 147.3
[M+Na]+ 245.06854 157.3
[M-H]- 221.07204 153.0
[M+NH4]+ 240.11314 165.5
[M+K]+ 261.04248 152.7
[M+H-H2O]+ 205.07658 138.8
[M+HCOO]- 267.07752 170.5
[M+CH3COO]- 281.09317 160.7
[M+Na-2H]- 243.05399 154.8
[M]+ 222.07877 148.8
[M]- 222.07987 148.8
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