CID 3021923

Isoquinoline, 3-(1-ethyl-1,2,5,6-tetrahydro-4-pyridinyl)-1-(2-methylphenyl)-, hydrochloride

Structural Information

Molecular Formula
C23H24N2
SMILES
CCN1CCC(=CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4C
InChI
InChI=1S/C23H24N2/c1-3-25-14-12-18(13-15-25)22-16-19-9-5-7-11-21(19)23(24-22)20-10-6-4-8-17(20)2/h4-12,16H,3,13-15H2,1-2H3
InChIKey
RFNBGILNPDLDSJ-UHFFFAOYSA-N
Compound name
3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2-methylphenyl)isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

328.19394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.201216 183.4
[M+Na]+ 351.183158 190.2
[M-H]- 327.186664 190.3
[M+NH4]+ 346.227763 195.1
[M+K]+ 367.157098 182.6
[M+H-H2O]+ 311.191200 171.5
[M+HCOO]- 373.192141 199.8
[M+CH3COO]- 387.207791 192.6
[M+Na-2H]- 349.168606 186.8
[M]+ 328.19339142 180.7
[M]- 328.19448858 180.7
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

patents stripe