CID 6481257

Chembl370741

Structural Information

Molecular Formula
C23H17Cl4N3
SMILES
C=CCN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H17Cl4N3/c1-2-8-29-12-19(17-5-3-15(24)10-21(17)26)20(13-29)23(30-9-7-28-14-30)18-6-4-16(25)11-22(18)27/h2-7,9-14,23H,1,8H2
InChIKey
CIBUYESLSNIXEW-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-prop-2-enylpyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

475.01767 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.02495 211.0
[M+Na]+ 498.00689 221.9
[M-H]- 474.01039 216.3
[M+NH4]+ 493.05149 219.5
[M+K]+ 513.98083 212.3
[M+H-H2O]+ 458.01493 199.2
[M+HCOO]- 520.01587 211.1
[M+CH3COO]- 534.03152 218.0
[M+Na-2H]- 495.99234 204.1
[M]+ 475.01712 216.0
[M]- 475.01822 216.0
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.