CID 6481241

Chembl191552

Structural Information

Molecular Formula
C22H18ClN3
SMILES
C=CN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H18ClN3/c1-2-25-14-20(17-8-10-19(23)11-9-17)21(15-25)22(26-13-12-24-16-26)18-6-4-3-5-7-18/h2-16,22H,1H2
InChIKey
QSZFONROKILZDE-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-ethenylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.11893 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12621 186.3
[M+Na]+ 382.10815 196.1
[M-H]- 358.11165 195.7
[M+NH4]+ 377.15275 198.6
[M+K]+ 398.08209 187.2
[M+H-H2O]+ 342.11619 174.9
[M+HCOO]- 404.11713 203.7
[M+CH3COO]- 418.13278 196.9
[M+Na-2H]- 380.09360 185.5
[M]+ 359.11838 189.4
[M]- 359.11948 189.4
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.