CID 6481247

Chembl365796

Structural Information

Molecular Formula
C22H19Cl2N3
SMILES
CCN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H19Cl2N3/c1-2-26-13-19(18-9-8-17(23)12-21(18)24)20(14-26)22(27-11-10-25-15-27)16-6-4-3-5-7-16/h3-15,22H,2H2,1H3
InChIKey
CYONRLZAGZQLEC-UHFFFAOYSA-N
Compound name
1-[[4-(2,4-dichlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.0956 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.10288 194.0
[M+Na]+ 418.08482 204.6
[M-H]- 394.08832 202.7
[M+NH4]+ 413.12942 205.6
[M+K]+ 434.05876 195.4
[M+H-H2O]+ 378.09286 182.4
[M+HCOO]- 440.09380 205.8
[M+CH3COO]- 454.10945 203.9
[M+Na-2H]- 416.07027 191.6
[M]+ 395.09505 199.3
[M]- 395.09615 199.3
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.