CID 6481289

Chembl92305

Structural Information

Molecular Formula
C20H14Cl2N4O2
SMILES
C1=CC(=CC=C1C2=CNC=C2C(C3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H14Cl2N4O2/c21-14-3-6-16(19(22)9-14)20(25-8-7-23-12-25)18-11-24-10-17(18)13-1-4-15(5-2-13)26(27)28/h1-12,20,24H
InChIKey
RGSRKBHTUUKVTA-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)-[4-(4-nitrophenyl)-1H-pyrrol-3-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

412.04938 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.05666 195.0
[M+Na]+ 435.03860 202.4
[M-H]- 411.04210 202.5
[M+NH4]+ 430.08320 203.7
[M+K]+ 451.01254 190.5
[M+H-H2O]+ 395.04664 188.5
[M+HCOO]- 457.04758 206.8
[M+CH3COO]- 471.06323 211.7
[M+Na-2H]- 433.02405 195.6
[M]+ 412.04883 196.4
[M]- 412.04993 196.4
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.