CID 214214

Nsc 87202

Structural Information

Molecular Formula
C18H18FNO
SMILES
C1CN(CC2=CC=CC=C21)CCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H18FNO/c19-17-7-5-15(6-8-17)18(21)10-12-20-11-9-14-3-1-2-4-16(14)13-20/h1-8H,9-13H2
InChIKey
KIARQZDRFOGZHB-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13724 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14452 165.9
[M+Na]+ 306.12646 171.9
[M-H]- 282.12996 169.8
[M+NH4]+ 301.17106 180.8
[M+K]+ 322.10040 166.4
[M+H-H2O]+ 266.13450 155.8
[M+HCOO]- 328.13544 182.7
[M+CH3COO]- 342.15109 176.0
[M+Na-2H]- 304.11191 169.6
[M]+ 283.13669 162.3
[M]- 283.13779 162.3
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.