CID 3076642

Alpha-((1h-imidazol-4-ylmethoxy)methyl)-1-naphthalenemethanol

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2C(COCC3=CN=CN3)O
InChI
InChI=1S/C16H16N2O2/c19-16(10-20-9-13-8-17-11-18-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-8,11,16,19H,9-10H2,(H,17,18)
InChIKey
LPXNSLVBFHXOCR-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-ylmethoxy)-1-naphthalen-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

268.1212 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 161.6
[M+Na]+ 291.11042 175.5
[M+NH4]+ 286.15502 169.3
[M+K]+ 307.08436 170.1
[M-H]- 267.11392 164.2
[M+Na-2H]- 289.09587 169.6
[M]+ 268.12065 164.3
[M]- 268.12175 164.3
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