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]+ 342.169996 181.8
[M+Na]+ 364.151938 189.7
[M-H]- 340.155444 186.8
[M+NH4]+ 359.196543 194.5
[M+K]+ 380.125878 185.6
[M+H-H2O]+ 324.159980 172.4
[M+HCOO]- 386.160921 200.2
[M+CH3COO]- 400.176571 212.3
[M+Na-2H]- 362.137386 184.8
[M]+ 341.16217142 186.4
[M]- 341.16326858 186.4
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.