CID 6481239

Chembl373334

Structural Information

Molecular Formula
C23H22ClN3
SMILES
CCCN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H22ClN3/c1-2-13-26-15-21(18-8-10-20(24)11-9-18)22(16-26)23(27-14-12-25-17-27)19-6-4-3-5-7-19/h3-12,14-17,23H,2,13H2,1H3
InChIKey
FQEUXWBTSJUDJF-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-propylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

375.15024 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15752 191.0
[M+Na]+ 398.13946 200.0
[M-H]- 374.14296 200.2
[M+NH4]+ 393.18406 202.7
[M+K]+ 414.11340 191.6
[M+H-H2O]+ 358.14750 179.3
[M+HCOO]- 420.14844 207.9
[M+CH3COO]- 434.16409 201.1
[M+Na-2H]- 396.12491 189.7
[M]+ 375.14969 195.1
[M]- 375.15079 195.1
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.