CID 503454

Chembl452018

Structural Information

Molecular Formula
C19H16FN3
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)F)CN4C=CN=C4
InChI
InChI=1S/C19H16FN3/c20-17-7-5-15(6-8-17)11-23-13-16(12-22-10-9-21-14-22)18-3-1-2-4-19(18)23/h1-10,13-14H,11-12H2
InChIKey
ODQXLKIBAWWFRU-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

305.1328 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14008 169.8
[M+Na]+ 328.12202 180.6
[M-H]- 304.12552 176.3
[M+NH4]+ 323.16662 185.1
[M+K]+ 344.09596 173.4
[M+H-H2O]+ 288.13006 158.8
[M+HCOO]- 350.13100 191.5
[M+CH3COO]- 364.14665 181.6
[M+Na-2H]- 326.10747 172.4
[M]+ 305.13225 171.6
[M]- 305.13335 171.6
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.