CID 59344

102395-78-8

Structural Information

Molecular Formula
C18H28N2O2
SMILES
COC1=C(C=C2CN(CCC2=C1)CCN3CCCCC3)OC
InChI
InChI=1S/C18H28N2O2/c1-21-17-12-15-6-9-20(14-16(15)13-18(17)22-2)11-10-19-7-4-3-5-8-19/h12-13H,3-11,14H2,1-2H3
InChIKey
NGRKFPJXPIRKAU-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 176.3
[M+Na]+ 327.20432 188.5
[M+NH4]+ 322.24892 184.4
[M+K]+ 343.17826 180.3
[M-H]- 303.20782 179.9
[M+Na-2H]- 325.18977 181.3
[M]+ 304.21455 179.0
[M]- 304.21565 179.0
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.