CID 259676

Csh 068

Structural Information

Molecular Formula
C20H25NO3
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC
InChI
InChI=1S/C20H25NO3/c1-21-10-9-15-12-19(23-3)20(24-4)13-17(15)18(21)11-14-5-7-16(22-2)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3
InChIKey
LZJWNVLTWYMMDJ-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

327.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 179.7
[M+Na]+ 350.17266 187.2
[M-H]- 326.17616 185.7
[M+NH4]+ 345.21726 193.8
[M+K]+ 366.14660 183.4
[M+H-H2O]+ 310.18070 170.2
[M+HCOO]- 372.18164 198.0
[M+CH3COO]- 386.19729 212.9
[M+Na-2H]- 348.15811 182.0
[M]+ 327.18289 183.3
[M]- 327.18399 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe