CID 462560

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

Structural Information

Molecular Formula
C29H22Cl2N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)N5C=CN=C5
InChI
InChI=1S/C29H22Cl2N2O/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
AVIWDYWMKYSNAU-UHFFFAOYSA-N
Compound name
1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]-(4-phenylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

484.11093 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.11821 217.7
[M+Na]+ 507.10015 225.3
[M-H]- 483.10365 228.9
[M+NH4]+ 502.14475 224.1
[M+K]+ 523.07409 215.3
[M+H-H2O]+ 467.10819 204.1
[M+HCOO]- 529.10913 227.4
[M+CH3COO]- 543.12478 225.0
[M+Na-2H]- 505.08560 215.8
[M]+ 484.11038 221.5
[M]- 484.11148 221.5
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.