CID 89445

21165-49-1

Structural Information

Molecular Formula
C17H18FN
SMILES
CN(C)CC=C(C1=CC=CC=C1)C2=CC(=CC=C2)F
InChI
InChI=1S/C17H18FN/c1-19(2)12-11-17(14-7-4-3-5-8-14)15-9-6-10-16(18)13-15/h3-11,13H,12H2,1-2H3
InChIKey
LXFAPIFEQCWVJW-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.14233 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14961 159.8
[M+Na]+ 278.13155 165.5
[M-H]- 254.13505 166.1
[M+NH4]+ 273.17615 176.8
[M+K]+ 294.10549 161.6
[M+H-H2O]+ 238.13959 150.8
[M+HCOO]- 300.14053 182.8
[M+CH3COO]- 314.15618 202.5
[M+Na-2H]- 276.11700 163.3
[M]+ 255.14178 158.4
[M]- 255.14288 158.4
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.