CID 6481248

Chembl329577

Structural Information

Molecular Formula
C21H16Cl3N3
SMILES
CN1C=C(C(=C1)C(C2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16Cl3N3/c1-26-11-18(14-2-4-15(22)5-3-14)19(12-26)21(27-9-8-25-13-27)17-7-6-16(23)10-20(17)24/h2-13,21H,1H3
InChIKey
BKAGEDZBILNZHR-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-methylpyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

415.041 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.04828 196.2
[M+Na]+ 438.03022 207.8
[M-H]- 414.03372 203.7
[M+NH4]+ 433.07482 207.3
[M+K]+ 454.00416 198.7
[M+H-H2O]+ 398.03826 184.8
[M+HCOO]- 460.03920 202.7
[M+CH3COO]- 474.05485 205.5
[M+Na-2H]- 436.01567 192.4
[M]+ 415.04045 201.8
[M]- 415.04155 201.8
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.