CID 3087979

2-hydroxy-3-(1-(1h-imidazol-4-yl)pentyl)benzenemethanol

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CCCCC(C1=CC=CC(=C1O)CO)C2=CN=CN2
InChI
InChI=1S/C15H20N2O2/c1-2-3-6-12(14-8-16-10-17-14)13-7-4-5-11(9-18)15(13)19/h4-5,7-8,10,12,18-19H,2-3,6,9H2,1H3,(H,16,17)
InChIKey
MMRYYLAXJRZBFI-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[1-(1H-imidazol-5-yl)pentyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

260.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 162.2
[M+Na]+ 283.141688 168.4
[M-H]- 259.145194 162.3
[M+NH4]+ 278.186293 176.0
[M+K]+ 299.115628 163.2
[M+H-H2O]+ 243.149730 154.3
[M+HCOO]- 305.150671 179.3
[M+CH3COO]- 319.166321 189.9
[M+Na-2H]- 281.127136 163.2
[M]+ 260.15192142 160.9
[M]- 260.15301858 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