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 160.2
[M+Na]+ 291.11042 167.8
[M-H]- 267.11392 162.7
[M+NH4]+ 286.15502 175.0
[M+K]+ 307.08436 162.3
[M+H-H2O]+ 251.11846 151.7
[M+HCOO]- 313.11940 179.7
[M+CH3COO]- 327.13505 171.1
[M+Na-2H]- 289.09587 165.9
[M]+ 268.12065 160.9
[M]- 268.12175 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