CID 130368

Nafimidone alcohol

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)C(CN3C=CN=C3)O
InChI
InChI=1S/C15H14N2O/c18-15(10-17-8-7-16-11-17)14-6-5-12-3-1-2-4-13(12)9-14/h1-9,11,15,18H,10H2
InChIKey
LFAPKHXSAABGPQ-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-naphthalen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

238.11061 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 153.2
[M+Na]+ 261.09983 168.4
[M+NH4]+ 256.14443 162.0
[M+K]+ 277.07377 162.3
[M-H]- 237.10333 156.9
[M+Na-2H]- 259.08528 162.5
[M]+ 238.11006 156.5
[M]- 238.11116 156.5
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