CID 54304

2-(1-imidazolyl)-5',6',7',8'-tetrahydro-1'-acetonaphthone hydrochloride

Structural Information

Molecular Formula
C15H16N2O
SMILES
C1CCC2=C(C1)C=CC=C2C(=O)CN3C=CN=C3
InChI
InChI=1S/C15H16N2O/c18-15(10-17-9-8-16-11-17)14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7-9,11H,1-2,4,6,10H2
InChIKey
GWTYDYIPAFPLMT-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.12627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.13355 155.9
[M+Na]+ 263.11549 168.9
[M+NH4]+ 258.16009 164.6
[M+K]+ 279.08943 163.0
[M-H]- 239.11899 159.2
[M+Na-2H]- 261.10094 163.0
[M]+ 240.12572 158.6
[M]- 240.12682 158.6
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