CID 6481292

Chembl330558

Structural Information

Molecular Formula
C20H15Cl2N3O
SMILES
C1=CC(=CC=C1C2=CNC=C2C(C3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4)O
InChI
InChI=1S/C20H15Cl2N3O/c21-14-3-6-16(19(22)9-14)20(25-8-7-23-12-25)18-11-24-10-17(18)13-1-4-15(26)5-2-13/h1-12,20,24,26H
InChIKey
XLPKSIDATCAANT-UHFFFAOYSA-N
Compound name
4-[4-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-1H-pyrrol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.0592 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.06648 186.3
[M+Na]+ 406.04842 196.7
[M-H]- 382.05192 193.1
[M+NH4]+ 401.09302 197.1
[M+K]+ 422.02236 187.3
[M+H-H2O]+ 366.05646 176.1
[M+HCOO]- 428.05740 196.3
[M+CH3COO]- 442.07305 195.9
[M+Na-2H]- 404.03387 184.6
[M]+ 383.05865 189.0
[M]- 383.05975 189.0
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.