CID 3068624

83658-26-8

Structural Information

Molecular Formula
C17H17FN2
SMILES
C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3F)CCN
InChI
InChI=1S/C17H17FN2/c18-16-8-4-3-7-15(16)17-14-6-2-1-5-12(14)11-13(20-17)9-10-19/h1-8,13H,9-11,19H2
InChIKey
GVRYBKREHZKNIB-UHFFFAOYSA-N
Compound name
2-[1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13757 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14485 161.9
[M+Na]+ 291.12679 169.7
[M-H]- 267.13029 166.1
[M+NH4]+ 286.17139 177.5
[M+K]+ 307.10073 163.3
[M+H-H2O]+ 251.13483 152.1
[M+HCOO]- 313.13577 181.6
[M+CH3COO]- 327.15142 172.8
[M+Na-2H]- 289.11224 167.1
[M]+ 268.13702 158.2
[M]- 268.13812 158.2
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.