CID 3021929

Isoquinoline, 1-(2-fluorophenyl)-3-(1-methyl-1,2,5,6-tetrahydro-4-pyridinyl)-, hydrochloride

Structural Information

Molecular Formula
C21H19FN2
SMILES
CN1CCC(=CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4F
InChI
InChI=1S/C21H19FN2/c1-24-12-10-15(11-13-24)20-14-16-6-2-3-7-17(16)21(23-20)18-8-4-5-9-19(18)22/h2-10,14H,11-13H2,1H3
InChIKey
QXSKFAGJZHEPHF-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.15323 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16051 177.9
[M+Na]+ 341.14245 185.8
[M-H]- 317.14595 183.9
[M+NH4]+ 336.18705 190.0
[M+K]+ 357.11639 178.0
[M+H-H2O]+ 301.15049 165.4
[M+HCOO]- 363.15143 193.9
[M+CH3COO]- 377.16708 187.5
[M+Na-2H]- 339.12790 181.7
[M]+ 318.15268 173.7
[M]- 318.15378 173.7
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.