CID 6481245

Chembl189962

Structural Information

Molecular Formula
C26H20ClN3
SMILES
C1=CC=C(C=C1)C(C2=CN(C=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N5C=CN=C5
InChI
InChI=1S/C26H20ClN3/c27-22-13-11-20(12-14-22)24-17-30(23-9-5-2-6-10-23)18-25(24)26(29-16-15-28-19-29)21-7-3-1-4-8-21/h1-19,26H
InChIKey
OWCFAXVLGXIOQO-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.13458 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14186 198.7
[M+Na]+ 432.12380 207.5
[M-H]- 408.12730 210.8
[M+NH4]+ 427.16840 208.2
[M+K]+ 448.09774 198.0
[M+H-H2O]+ 392.13184 185.8
[M+HCOO]- 454.13278 215.4
[M+CH3COO]- 468.14843 208.2
[M+Na-2H]- 430.10925 197.7
[M]+ 409.13403 201.1
[M]- 409.13513 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.