CID 53618

77234-86-7

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]+ 279.14918 165.4
[M+Na]+ 301.13112 171.2
[M-H]- 277.13462 171.0
[M+NH4]+ 296.17572 178.9
[M+K]+ 317.10506 166.2
[M+H-H2O]+ 261.13916 155.7
[M+HCOO]- 323.14010 184.6
[M+CH3COO]- 337.15575 175.9
[M+Na-2H]- 299.11657 167.5
[M]+ 278.14135 163.7
[M]- 278.14245 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