CID 462558

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

Structural Information

Molecular Formula
C29H23ClN2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4=CC=CC=C4Cl)N5C=CN=C5
InChI
InChI=1S/C29H23ClN2O/c30-28-9-5-4-8-26(28)20-33-27-16-14-25(15-17-27)29(32-19-18-31-21-32)24-12-10-23(11-13-24)22-6-2-1-3-7-22/h1-19,21,29H,20H2
InChIKey
UNRJCPDVGBQCMZ-UHFFFAOYSA-N
Compound name
1-[[4-[(2-chlorophenyl)methoxy]phenyl]-(4-phenylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.1499 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15718 211.4
[M+Na]+ 473.13912 217.8
[M-H]- 449.14262 223.3
[M+NH4]+ 468.18372 218.3
[M+K]+ 489.11306 208.3
[M+H-H2O]+ 433.14716 197.7
[M+HCOO]- 495.14810 226.2
[M+CH3COO]- 509.16375 219.2
[M+Na-2H]- 471.12457 211.1
[M]+ 450.14935 213.1
[M]- 450.15045 213.1
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.