CID 462568

1-[[4-[(2,4-difluorophenyl)methoxy]phenyl]-(4-phenylphenyl)methyl]imidazole; nitric acid

Structural Information

Molecular Formula
C29H22F2N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4=C(C=C(C=C4)F)F)N5C=CN=C5
InChI
InChI=1S/C29H22F2N2O/c30-26-13-10-25(28(31)18-26)19-34-27-14-11-24(12-15-27)29(33-17-16-32-20-33)23-8-6-22(7-9-23)21-4-2-1-3-5-21/h1-18,20,29H,19H2
InChIKey
CRUSUULELRJOPV-UHFFFAOYSA-N
Compound name
1-[[4-[(2,4-difluorophenyl)methoxy]phenyl]-(4-phenylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.17 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.17728 211.1
[M+Na]+ 475.15922 217.7
[M-H]- 451.16272 221.1
[M+NH4]+ 470.20382 217.1
[M+K]+ 491.13316 208.5
[M+H-H2O]+ 435.16726 195.7
[M+HCOO]- 497.16820 228.4
[M+CH3COO]- 511.18385 218.5
[M+Na-2H]- 473.14467 209.3
[M]+ 452.16945 208.9
[M]- 452.17055 208.9
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

No patent data available for this compound.