CID 3021927

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

Structural Information

Molecular Formula
C21H19ClN2
SMILES
CN1CCC(=CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4Cl
InChI
InChI=1S/C21H19ClN2/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
OZTSWASCRAHICT-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-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

334.1237 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13098 181.0
[M+Na]+ 357.11292 189.5
[M-H]- 333.11642 187.9
[M+NH4]+ 352.15752 193.3
[M+K]+ 373.08686 180.9
[M+H-H2O]+ 317.12096 169.7
[M+HCOO]- 379.12190 193.4
[M+CH3COO]- 393.13755 190.7
[M+Na-2H]- 355.09837 184.9
[M]+ 334.12315 180.1
[M]- 334.12425 180.1
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.