CID 3024627

1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-(4-(2-(1-piperidinyl)ethoxy)phenyl)isoquinoline

Structural Information

Molecular Formula
C29H34N2O2
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCCC5
InChI
InChI=1S/C29H34N2O2/c1-32-27-14-15-28-24(22-27)16-19-31(25-8-4-2-5-9-25)29(28)23-10-12-26(13-11-23)33-21-20-30-17-6-3-7-18-30/h2,4-5,8-15,22,29H,3,6-7,16-21H2,1H3
InChIKey
ITLSLIOXUMKROB-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.26202 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26930 213.1
[M+Na]+ 465.25124 214.6
[M-H]- 441.25474 220.8
[M+NH4]+ 460.29584 218.5
[M+K]+ 481.22518 207.3
[M+H-H2O]+ 425.25928 198.1
[M+HCOO]- 487.26022 224.2
[M+CH3COO]- 501.27587 218.2
[M+Na-2H]- 463.23669 212.3
[M]+ 442.26147 207.7
[M]- 442.26257 207.7
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.