CID 122656

111908-94-2

Structural Information

Molecular Formula
C17H14FN3
SMILES
C1CC2=NC(=C(N2C1)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H14FN3/c18-14-5-3-12(4-6-14)16-17(13-7-9-19-10-8-13)21-11-1-2-15(21)20-16/h3-10H,1-2,11H2
InChIKey
GJFVAEMLAFFGDZ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

279.1172 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12448 162.8
[M+Na]+ 302.10642 172.5
[M-H]- 278.10992 168.9
[M+NH4]+ 297.15102 179.0
[M+K]+ 318.08036 166.2
[M+H-H2O]+ 262.11446 152.0
[M+HCOO]- 324.11540 182.4
[M+CH3COO]- 338.13105 174.4
[M+Na-2H]- 300.09187 164.5
[M]+ 279.11665 161.1
[M]- 279.11775 161.1
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

patents stripe