CID 3061563

1-(1,2-epoxy-2-(2-chlorophenyl)-2-(p-biphenylyl)ethyl)imidazole oxalate

Structural Information

Molecular Formula
C23H17ClN2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3(C(O3)N4C=CN=C4)C5=CC=CC=C5Cl
InChI
InChI=1S/C23H17ClN2O/c24-21-9-5-4-8-20(21)23(22(27-23)26-15-14-25-16-26)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,22H
InChIKey
MVQIOHBLZCVZER-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-(4-phenylphenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.10294 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11022 185.7
[M+Na]+ 395.09216 196.7
[M-H]- 371.09566 199.2
[M+NH4]+ 390.13676 192.9
[M+K]+ 411.06610 190.9
[M+H-H2O]+ 355.10020 175.0
[M+HCOO]- 417.10114 202.7
[M+CH3COO]- 431.11679 196.3
[M+Na-2H]- 393.07761 189.1
[M]+ 372.10239 190.4
[M]- 372.10349 190.4
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.