CID 462564

1-[[4-[(4-fluorophenyl)methoxy]phenyl]-(4-phenylphenyl)methyl]imidazole; nitric acid

Structural Information

Molecular Formula
C29H23FN2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)N5C=CN=C5
InChI
InChI=1S/C29H23FN2O/c30-27-14-6-22(7-15-27)20-33-28-16-12-26(13-17-28)29(32-19-18-31-21-32)25-10-8-24(9-11-25)23-4-2-1-3-5-23/h1-19,21,29H,20H2
InChIKey
PBHFNYLKJYXJDE-UHFFFAOYSA-N
Compound name
1-[[4-[(4-fluorophenyl)methoxy]phenyl]-(4-phenylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.17944 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.18672 207.1
[M+Na]+ 457.16866 212.8
[M-H]- 433.17216 218.1
[M+NH4]+ 452.21326 213.7
[M+K]+ 473.14260 204.1
[M+H-H2O]+ 417.17670 192.6
[M+HCOO]- 479.17764 225.5
[M+CH3COO]- 493.19329 214.9
[M+Na-2H]- 455.15411 206.8
[M]+ 434.17889 205.4
[M]- 434.17999 205.4
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

No patent data available for this compound.