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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.