CID 6481258

Chembl190653

Structural Information

Molecular Formula
C22H19Cl2N3
SMILES
CC1=CC=C(C=C1)C(C2=CN(C=C2C3=CC(=C(C=C3)Cl)Cl)C)N4C=CN=C4
InChI
InChI=1S/C22H19Cl2N3/c1-15-3-5-16(6-4-15)22(27-10-9-25-14-27)19-13-26(2)12-18(19)17-7-8-20(23)21(24)11-17/h3-14,22H,1-2H3
InChIKey
PHIHTFFSOKZWGQ-UHFFFAOYSA-N
Compound name
1-[[4-(3,4-dichlorophenyl)-1-methylpyrrol-3-yl]-(4-methylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.0956 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10288 194.3
[M+Na]+ 418.08482 205.7
[M-H]- 394.08832 203.4
[M+NH4]+ 413.12942 206.2
[M+K]+ 434.05876 196.6
[M+H-H2O]+ 378.09286 183.0
[M+HCOO]- 440.09380 206.1
[M+CH3COO]- 454.10945 204.5
[M+Na-2H]- 416.07027 191.1
[M]+ 395.09505 200.1
[M]- 395.09615 200.1
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.