CID 503467

5-bromo-1-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)indole

Structural Information

Molecular Formula
C19H15BrFN3
SMILES
C1=CC(=CC=C1CN2C=C(C3=C2C=CC(=C3)Br)CN4C=CN=C4)F
InChI
InChI=1S/C19H15BrFN3/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
ULTXFKBSQHOWOP-UHFFFAOYSA-N
Compound name
5-bromo-1-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.04333 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05061 183.8
[M+Na]+ 406.03255 198.0
[M-H]- 382.03605 193.2
[M+NH4]+ 401.07715 200.3
[M+K]+ 422.00649 184.4
[M+H-H2O]+ 366.04059 180.7
[M+HCOO]- 428.04153 203.4
[M+CH3COO]- 442.05718 197.0
[M+Na-2H]- 404.01800 186.5
[M]+ 383.04278 204.4
[M]- 383.04388 204.4
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.