CID 503469

Schembl6707619

Structural Information

Molecular Formula
C19H15BrClN3
SMILES
C1=CC(=CC=C1CN2C=C(C3=C2C=CC(=C3)Br)CN4C=CN=C4)Cl
InChI
InChI=1S/C19H15BrClN3/c20-16-3-6-19-18(9-16)15(11-23-8-7-22-13-23)12-24(19)10-14-1-4-17(21)5-2-14/h1-9,12-13H,10-11H2
InChIKey
JLWJOQSWZBALPC-UHFFFAOYSA-N
Compound name
5-bromo-1-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

399.0138 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.02108 186.3
[M+Na]+ 422.00302 201.4
[M-H]- 398.00652 196.6
[M+NH4]+ 417.04762 203.2
[M+K]+ 437.97696 186.8
[M+H-H2O]+ 382.01106 184.0
[M+HCOO]- 444.01200 202.4
[M+CH3COO]- 458.02765 199.7
[M+Na-2H]- 419.98847 189.2
[M]+ 399.01325 209.7
[M]- 399.01435 209.7
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.