CID 3021562

2-naphthalenol, 5,6-dihydro-7-(1h-imidazol-1-yl)-

Structural Information

Molecular Formula
C13H12N2O
SMILES
C1CC(=CC2=C1C=CC(=C2)O)N3C=CN=C3
InChI
InChI=1S/C13H12N2O/c16-13-4-2-10-1-3-12(7-11(10)8-13)15-6-5-14-9-15/h2,4-9,16H,1,3H2
InChIKey
SDDDOAYMFJZBCK-UHFFFAOYSA-N
Compound name
7-imidazol-1-yl-5,6-dihydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

212.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.102236 145.6
[M+Na]+ 235.084178 154.5
[M-H]- 211.087684 149.5
[M+NH4]+ 230.128783 163.8
[M+K]+ 251.058118 149.7
[M+H-H2O]+ 195.092220 137.6
[M+HCOO]- 257.093161 165.7
[M+CH3COO]- 271.108811 158.1
[M+Na-2H]- 233.069626 151.6
[M]+ 212.09441142 143.9
[M]- 212.09550858 143.9
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