CID 3068608

83658-13-3

Structural Information

Molecular Formula
C18H18ClFN2
SMILES
CN(C)CC1CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C18H18ClFN2/c1-22(2)11-14-9-12-7-8-13(19)10-16(12)18(21-14)15-5-3-4-6-17(15)20/h3-8,10,14H,9,11H2,1-2H3
InChIKey
NIHQEMKGAOBIEZ-UHFFFAOYSA-N
Compound name
1-[7-chloro-1-(2-fluorophenyl)-3,4-dihydroisoquinolin-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.11426 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12154 173.0
[M+Na]+ 339.10348 182.1
[M-H]- 315.10698 178.9
[M+NH4]+ 334.14808 188.7
[M+K]+ 355.07742 175.6
[M+H-H2O]+ 299.11152 163.4
[M+HCOO]- 361.11246 188.8
[M+CH3COO]- 375.12811 184.1
[M+Na-2H]- 337.08893 176.6
[M]+ 316.11371 174.6
[M]- 316.11481 174.6
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.