CID 3058920

Ethanone, 1-(6-ethyl-2-naphthalenyl)-2-(1h-imidazol-1-yl)-, monohydrobromide

Structural Information

Molecular Formula
C17H16N2O
SMILES
CCC1=CC2=C(C=C1)C=C(C=C2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C17H16N2O/c1-2-13-3-4-15-10-16(6-5-14(15)9-13)17(20)11-19-8-7-18-12-19/h3-10,12H,2,11H2,1H3
InChIKey
XPULMAIGONNUKB-UHFFFAOYSA-N
Compound name
1-(6-ethylnaphthalen-2-yl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

264.12625 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.133526 161.2
[M+Na]+ 287.115468 170.7
[M-H]- 263.118974 166.6
[M+NH4]+ 282.160073 177.9
[M+K]+ 303.089408 165.3
[M+H-H2O]+ 247.123510 152.3
[M+HCOO]- 309.124451 183.3
[M+CH3COO]- 323.140101 173.6
[M+Na-2H]- 285.100916 166.2
[M]+ 264.12570142 164.1
[M]- 264.12679858 164.1
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