CID 465972

170938-95-1

Structural Information

Molecular Formula
C26H20ClN3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CNC=C3C4=CC=C(C=C4)Cl)N5C=CN=C5
InChI
InChI=1S/C26H20ClN3/c27-23-12-10-21(11-13-23)24-16-29-17-25(24)26(30-15-14-28-18-30)22-8-6-20(7-9-22)19-4-2-1-3-5-19/h1-18,26,29H
InChIKey
HWSJKRRNBGOLBM-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(4-phenylphenyl)methyl]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 197.7
[M+Na]+ 432.12380 206.0
[M-H]- 408.12730 208.6
[M+NH4]+ 427.16840 206.6
[M+K]+ 448.09774 195.8
[M+H-H2O]+ 392.13184 185.3
[M+HCOO]- 454.13278 213.0
[M+CH3COO]- 468.14843 206.6
[M+Na-2H]- 430.10925 196.6
[M]+ 409.13403 198.5
[M]- 409.13513 198.5
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.