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

3
Patents

328.19394 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.20122 183.4
[M+Na]+ 351.18316 190.2
[M-H]- 327.18666 190.3
[M+NH4]+ 346.22776 195.1
[M+K]+ 367.15710 182.6
[M+H-H2O]+ 311.19120 171.5
[M+HCOO]- 373.19214 199.8
[M+CH3COO]- 387.20779 192.6
[M+Na-2H]- 349.16861 186.8
[M]+ 328.19339 180.7
[M]- 328.19449 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