CID 503456

Chembl510303

Structural Information

Molecular Formula
C19H15F2N3
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=C(C=C(C=C3)F)F)CN4C=CN=C4
InChI
InChI=1S/C19H15F2N3/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
DZFUKWQZVWFNAX-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-3-(imidazol-1-ylmethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.1234 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13068 173.0
[M+Na]+ 346.11262 184.7
[M-H]- 322.11612 178.6
[M+NH4]+ 341.15722 187.8
[M+K]+ 362.08656 177.0
[M+H-H2O]+ 306.12066 161.3
[M+HCOO]- 368.12160 193.6
[M+CH3COO]- 382.13725 184.5
[M+Na-2H]- 344.09807 174.3
[M]+ 323.12285 174.2
[M]- 323.12395 174.2
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.