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 181.8
[M+Na]+ 364.15194 189.7
[M-H]- 340.15544 186.8
[M+NH4]+ 359.19654 194.5
[M+K]+ 380.12588 185.6
[M+H-H2O]+ 324.15998 172.4
[M+HCOO]- 386.16092 200.2
[M+CH3COO]- 400.17657 212.3
[M+Na-2H]- 362.13739 184.8
[M]+ 341.16217 186.4
[M]- 341.16327 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.