CID 6481242

Chembl190088

Structural Information

Molecular Formula
C23H20ClN3
SMILES
C=CCN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H20ClN3/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/h2-12,14-17,23H,1,13H2
InChIKey
YPDXECRNRFNNQV-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-prop-2-enylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.13458 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14186 190.7
[M+Na]+ 396.12380 200.0
[M-H]- 372.12730 200.0
[M+NH4]+ 391.16840 202.5
[M+K]+ 412.09774 191.0
[M+H-H2O]+ 356.13184 179.1
[M+HCOO]- 418.13278 207.8
[M+CH3COO]- 432.14843 200.9
[M+Na-2H]- 394.10925 189.4
[M]+ 373.13403 194.1
[M]- 373.13513 194.1
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.