CID 5311276

191034-25-0

Structural Information

Molecular Formula
C24H20BrClN2O
SMILES
CCCOC1=C(C=C(C=C1)Br)C2=C(NC(=C2)C3=CC=C(C=C3)Cl)C4=CC=NC=C4
InChI
InChI=1S/C24H20BrClN2O/c1-2-13-29-23-8-5-18(25)14-20(23)21-15-22(16-3-6-19(26)7-4-16)28-24(21)17-9-11-27-12-10-17/h3-12,14-15,28H,2,13H2,1H3
InChIKey
HHBOWXZOLYQFNY-UHFFFAOYSA-N
Compound name
4-[3-(5-bromo-2-propoxyphenyl)-5-(4-chlorophenyl)-1H-pyrrol-2-yl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

25
Patents

466.04474 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.05202 209.0
[M+Na]+ 489.03396 217.4
[M+NH4]+ 484.07856 213.7
[M+K]+ 505.00790 213.8
[M-H]- 465.03746 214.6
[M+Na-2H]- 487.01941 215.9
[M]+ 466.04419 211.3
[M]- 466.04529 211.3
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

patents stripe