CID 503934

Chembl563832

Structural Information

Molecular Formula
C16H14FN3
SMILES
CC1=C(N(C=N1)NC2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C16H14FN3/c1-12-16(13-5-3-2-4-6-13)20(11-18-12)19-15-9-7-14(17)8-10-15/h2-11,19H,1H3
InChIKey
QFSXIVIHACZJEP-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-4-methyl-5-phenylimidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

267.1172 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12448 159.2
[M+Na]+ 290.10642 168.3
[M-H]- 266.10992 165.7
[M+NH4]+ 285.15102 174.4
[M+K]+ 306.08036 162.3
[M+H-H2O]+ 250.11446 148.6
[M+HCOO]- 312.11540 182.4
[M+CH3COO]- 326.13105 171.3
[M+Na-2H]- 288.09187 163.7
[M]+ 267.11665 157.7
[M]- 267.11775 157.7
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