CID 53622

77234-88-9

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(CCN3C=CN=C3)O
InChI
InChI=1S/C18H18N2O/c21-18(10-12-20-13-11-19-14-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,11,13-14,18,21H,10,12H2
InChIKey
LVJILDGVTZJXQK-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 165.3
[M+Na]+ 301.13112 171.4
[M-H]- 277.13462 170.8
[M+NH4]+ 296.17572 178.9
[M+K]+ 317.10506 165.9
[M+H-H2O]+ 261.13916 155.4
[M+HCOO]- 323.14010 185.4
[M+CH3COO]- 337.15575 175.9
[M+Na-2H]- 299.11657 168.6
[M]+ 278.14135 164.1
[M]- 278.14245 164.1
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

No patent data available for this compound.