CID 53618

1-propanol, 1-(4-biphenylyl)-2-(1-imidazolyl)-, hydrochloride

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC(C(C1=CC=C(C=C1)C2=CC=CC=C2)O)N3C=CN=C3
InChI
InChI=1S/C18H18N2O/c1-14(20-12-11-19-13-20)18(21)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14,18,21H,1H3
InChIKey
PVWFUCRYWYDOJS-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(4-phenylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.4
[M+Na]+ 301.131118 171.2
[M-H]- 277.134624 171.0
[M+NH4]+ 296.175723 178.9
[M+K]+ 317.105058 166.2
[M+H-H2O]+ 261.139160 155.7
[M+HCOO]- 323.140101 184.6
[M+CH3COO]- 337.155751 175.9
[M+Na-2H]- 299.116566 167.5
[M]+ 278.14135142 163.7
[M]- 278.14244858 163.7
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