CID 80284031

2-(4-fluorophenyl)-1-(1h-imidazol-2-yl)-n-methylethanamine

Structural Information

Molecular Formula
C12H14FN3
SMILES
CNC(CC1=CC=C(C=C1)F)C2=NC=CN2
InChI
InChI=1S/C12H14FN3/c1-14-11(12-15-6-7-16-12)8-9-2-4-10(13)5-3-9/h2-7,11,14H,8H2,1H3,(H,15,16)
InChIKey
VHRJUONIMNFSSW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1-(1H-imidazol-2-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12445 147.4
[M+Na]+ 242.10639 154.2
[M-H]- 218.10989 148.8
[M+NH4]+ 237.15099 163.7
[M+K]+ 258.08033 149.7
[M+H-H2O]+ 202.11443 138.1
[M+HCOO]- 264.11537 168.1
[M+CH3COO]- 278.13102 188.2
[M+Na-2H]- 240.09184 151.6
[M]+ 219.11662 143.8
[M]- 219.11772 143.8
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.