CID 89445

Dtxsid60943489

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]+ 256.149606 159.8
[M+Na]+ 278.131548 165.5
[M-H]- 254.135054 166.1
[M+NH4]+ 273.176153 176.8
[M+K]+ 294.105488 161.6
[M+H-H2O]+ 238.139590 150.8
[M+HCOO]- 300.140531 182.8
[M+CH3COO]- 314.156181 202.5
[M+Na-2H]- 276.116996 163.3
[M]+ 255.14178142 158.4
[M]- 255.14287858 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.