CID 90658894

(1s)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2-dihydroisoquinoline

Structural Information

Molecular Formula
C20H23NO4
SMILES
COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3C=CN2)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12,16,21H,9H2,1-4H3/t16-/m0/s1
InChIKey
BWRURUOKCJLFSV-INIZCTEOSA-N
Compound name
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 182.1
[M+Na]+ 364.15194 197.1
[M+NH4]+ 359.19654 189.5
[M+K]+ 380.12588 189.1
[M-H]- 340.15544 186.0
[M+Na-2H]- 362.13739 188.7
[M]+ 341.16217 185.5
[M]- 341.16327 185.5
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.