CID 456956

1-[[1-(2,4-dichlorophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]methyl]imidazole

Structural Information

Molecular Formula
C21H17Cl2N3
SMILES
CC1=C(C=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3)CN4C=CN=C4
InChI
InChI=1S/C21H17Cl2N3/c1-15-17(13-25-10-9-24-14-25)11-21(16-5-3-2-4-6-16)26(15)20-8-7-18(22)12-19(20)23/h2-12,14H,13H2,1H3
InChIKey
QOBVJXZNBAIXFI-UHFFFAOYSA-N
Compound name
1-[[1-(2,4-dichlorophenyl)-2-methyl-5-phenylpyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.07996 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08724 190.7
[M+Na]+ 404.06918 203.0
[M-H]- 380.07268 199.7
[M+NH4]+ 399.11378 203.3
[M+K]+ 420.04312 193.6
[M+H-H2O]+ 364.07722 179.4
[M+HCOO]- 426.07816 203.8
[M+CH3COO]- 440.09381 201.5
[M+Na-2H]- 402.05463 189.0
[M]+ 381.07941 196.6
[M]- 381.08051 196.6
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.