CID 6481255

Chembl188551

Structural Information

Molecular Formula
C22H17Cl4N3
SMILES
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/C22H17Cl4N3/c1-2-28-11-18(16-5-3-14(23)9-20(16)25)19(12-28)22(29-8-7-27-13-29)17-6-4-15(24)10-21(17)26/h3-13,22H,2H2,1H3
InChIKey
UCHZYJOXNDGCCF-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1-ethylpyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

463.01767 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.02495 206.7
[M+Na]+ 486.00689 217.8
[M-H]- 462.01039 212.1
[M+NH4]+ 481.05149 215.8
[M+K]+ 501.98083 208.9
[M+H-H2O]+ 446.01493 195.0
[M+HCOO]- 508.01587 206.9
[M+CH3COO]- 522.03152 214.1
[M+Na-2H]- 483.99234 200.3
[M]+ 463.01712 212.0
[M]- 463.01822 212.0
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.