CID 511593

1-[2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-2-yl)ethyl]imidazole

Structural Information

Molecular Formula
C16H15Cl2N3
SMILES
CN1C=CC=C1C(CC2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3
InChI
InChI=1S/C16H15Cl2N3/c1-20-7-2-3-15(20)16(21-8-6-19-11-21)9-12-4-5-13(17)10-14(12)18/h2-8,10-11,16H,9H2,1H3
InChIKey
VENCLCMTTDPWQV-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-2-yl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0643 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07158 172.3
[M+Na]+ 342.05352 183.4
[M-H]- 318.05702 178.0
[M+NH4]+ 337.09812 187.3
[M+K]+ 358.02746 176.0
[M+H-H2O]+ 302.06156 162.3
[M+HCOO]- 364.06250 185.0
[M+CH3COO]- 378.07815 183.7
[M+Na-2H]- 340.03897 171.8
[M]+ 319.06375 177.4
[M]- 319.06485 177.5
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.