CID 6481280

Chembl21313

Structural Information

Molecular Formula
C21H18FN3
SMILES
CC1=CC=C(C=C1)C(C2=CN(C=C2)C3=CC=C(C=C3)F)N4C=CN=C4
InChI
InChI=1S/C21H18FN3/c1-16-2-4-17(5-3-16)21(25-13-11-23-15-25)18-10-12-24(14-18)20-8-6-19(22)7-9-20/h2-15,21H,1H3
InChIKey
YKBDGMCRYYLJKW-UHFFFAOYSA-N
Compound name
1-[[1-(4-fluorophenyl)pyrrol-3-yl]-(4-methylphenyl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

331.14847 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15575 176.3
[M+Na]+ 354.13769 185.7
[M-H]- 330.14119 185.1
[M+NH4]+ 349.18229 189.1
[M+K]+ 370.11163 178.7
[M+H-H2O]+ 314.14573 164.6
[M+HCOO]- 376.14667 197.8
[M+CH3COO]- 390.16232 187.5
[M+Na-2H]- 352.12314 176.4
[M]+ 331.14792 176.9
[M]- 331.14902 176.9
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.