CID 6481259

Chembl190595

Structural Information

Molecular Formula
C23H21Cl2N3
SMILES
CCN1C=C(C(=C1)C(C2=CC=C(C=C2)C)N3C=CN=C3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C23H21Cl2N3/c1-3-27-13-19(18-8-9-21(24)22(25)12-18)20(14-27)23(28-11-10-26-15-28)17-6-4-16(2)5-7-17/h4-15,23H,3H2,1-2H3
InChIKey
QXVLNLCAKWSGDD-UHFFFAOYSA-N
Compound name
1-[[4-(3,4-dichlorophenyl)-1-ethylpyrrol-3-yl]-(4-methylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

409.11127 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.11855 198.7
[M+Na]+ 432.10049 209.7
[M-H]- 408.10399 207.6
[M+NH4]+ 427.14509 210.1
[M+K]+ 448.07443 200.4
[M+H-H2O]+ 392.10853 187.2
[M+HCOO]- 454.10947 210.2
[M+CH3COO]- 468.12512 208.5
[M+Na-2H]- 430.08594 195.0
[M]+ 409.11072 204.8
[M]- 409.11182 204.8
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.