CID 456953

1-(2,4-dichlorophenyl)-5-(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl}imidazole

Structural Information

Molecular Formula
C21H16Cl3N3
SMILES
CC1=C(C=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)CN4C=CN=C4
InChI
InChI=1S/C21H16Cl3N3/c1-14-16(12-26-9-8-25-13-26)10-21(15-2-4-17(22)5-3-15)27(14)20-7-6-18(23)11-19(20)24/h2-11,13H,12H2,1H3
InChIKey
MDYPPSLDXCZNFT-UHFFFAOYSA-N
Compound name
1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.041 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.04828 197.8
[M+Na]+ 438.03022 210.5
[M-H]- 414.03372 205.4
[M+NH4]+ 433.07482 209.2
[M+K]+ 454.00416 200.9
[M+H-H2O]+ 398.03826 186.4
[M+HCOO]- 460.03920 205.1
[M+CH3COO]- 474.05485 207.4
[M+Na-2H]- 436.01567 194.1
[M]+ 415.04045 204.1
[M]- 415.04155 204.1
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.