CID 6481238

Chembl372899

Structural Information

Molecular Formula
C22H20ClN3
SMILES
CCN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H20ClN3/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/h3-16,22H,2H2,1H3
InChIKey
JZPSHINULHRCBT-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.13458 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14186 186.5
[M+Na]+ 384.12380 196.0
[M-H]- 360.12730 196.0
[M+NH4]+ 379.16840 198.9
[M+K]+ 400.09774 187.8
[M+H-H2O]+ 344.13184 175.1
[M+HCOO]- 406.13278 203.8
[M+CH3COO]- 420.14843 197.2
[M+Na-2H]- 382.10925 185.8
[M]+ 361.13403 190.3
[M]- 361.13513 190.3
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.