CID 503458

Chembl452266

Structural Information

Molecular Formula
C19H15Cl2N3
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)Cl)Cl)CN4C=CN=C4
InChI
InChI=1S/C19H15Cl2N3/c20-16-6-5-14(18(21)9-16)11-24-12-15(10-23-8-7-22-13-23)17-3-1-2-4-19(17)24/h1-9,12-13H,10-11H2
InChIKey
VXQOPYNUJVAJNJ-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.0643 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07158 183.6
[M+Na]+ 378.05352 196.0
[M-H]- 354.05702 190.2
[M+NH4]+ 373.09812 198.3
[M+K]+ 394.02746 187.0
[M+H-H2O]+ 338.06156 173.2
[M+HCOO]- 400.06250 196.0
[M+CH3COO]- 414.07815 194.6
[M+Na-2H]- 376.03897 184.2
[M]+ 355.06375 189.7
[M]- 355.06485 189.7
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.