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

15
Patents

268.1212 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 160.2
[M+Na]+ 291.110418 167.8
[M-H]- 267.113924 162.7
[M+NH4]+ 286.155023 175.0
[M+K]+ 307.084358 162.3
[M+H-H2O]+ 251.118460 151.7
[M+HCOO]- 313.119401 179.7
[M+CH3COO]- 327.135051 171.1
[M+Na-2H]- 289.095866 165.9
[M]+ 268.12065142 160.9
[M]- 268.12174858 160.9
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